elements listlengths 1 9 | nsites int32 1 444 | chemical_formula_anonymous stringlengths 1 18 | chemical_formula_reduced stringlengths 1 23 | chemical_formula_descriptive stringlengths 2 34 | nelements int8 1 9 | dimension_types listlengths 3 3 | nperiodic_dimensions int8 3 3 | lattice_vectors listlengths 3 3 | immutable_id stringlengths 4 13 ⌀ | cartesian_site_positions listlengths 1 444 | species stringlengths 138 1.25k | species_at_sites listlengths 1 444 | last_modified stringlengths 19 19 | elements_ratios listlengths 1 9 | stress_tensor listlengths 0 3 | energy float64 -2,749.01 5.19k | magnetic_moments listlengths 0 444 | forces listlengths 0 444 | total_magnetization float64 -340.3 383 ⌀ | dos_ef float64 -14.23 392 ⌀ | functional stringclasses 1
value | cross_compatibility bool 1
class | entalpic_fingerprint stringlengths 37 62 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Mn",
"Os",
"Re"
] | 4 | A2BC | MnOs2Re | Mn1 Re1 Os2 | 3 | [
1,
1,
1
] | 3 | [
[
2.67970909,
0.00674763,
0
],
[
-1.16929053,
2.41115035,
0
],
[
0,
0,
8.90496924
]
] | agm003800800 | [
[
0.7552092799999999,
1.2089489900000001,
6.680755660092257
],
[
0,
0,
8.810107007027975
],
[
0.7552092799999999,
1.2089489900000001,
2.247303541799216
],
[
0,
0,
4.52425680203086
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Os", "attached"... | [
"Mn",
"Os",
"Os",
"Re"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
9.38313,
-0.19333582,
0
],
[
-0.19333582,
9.194408,
0
],
[
0,
0,
9.472715
]
] | -42.27904 | [
2.692,
0.059,
-0.115,
-0.081
] | [
[
0,
0,
0.00183349
],
[
0,
0,
0.01108808
],
[
0,
0,
-0.00328614
],
[
0,
0,
-0.00963544
]
] | 2.612794 | 5.476255 | pbe | true | 16fcfb78d7906444fd79eaa92354a642_35_Mn1Re1Os2 |
[
"Mn",
"P",
"Pa"
] | 18 | A5B3C | Mn5P3Pa | Pa2 Mn10 P6 | 3 | [
1,
1,
1
] | 3 | [
[
3.79083799,
0,
0
],
[
-1.8954195,
5.94896423,
0
],
[
0,
0,
10.61032344
]
] | agm005955027 | [
[
1.8954168012440331,
3.737730239902966,
7.95774258
],
[
0.0000016887559666967813,
2.211233990097034,
2.65258086
],
[
1.8954167859273636,
3.6948797910646336,
4.633968786877229
],
[
0.000001704072636537568,
2.2540844389353665,
9.939130506877229
],
[
... | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "P", "attached":... | [
"Pa",
"Pa",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"P",
"P",
"P",
"P",
"P",
"P"
] | 2023-11-16 06:57:59 | [
0.5555555555555556,
0.3333333333333333,
0.1111111111111111
] | [
[
3.0195372,
-2.6e-7,
0
],
[
-2.6e-7,
3.0797575,
0
],
[
0,
0,
3.0897095
]
] | -154.472998 | [
-0.079,
-0.079,
0.112,
0.112,
2.364,
2.364,
0.113,
0.113,
0.113,
0.112,
0.112,
0.113,
-0.011,
0.012,
-0.011,
-0.011,
0.012,
-0.011
] | [
[
0,
0.0029961,
0
],
[
0,
-0.0029961,
0
],
[
0,
-0.00421718,
0.0000666
],
[
0,
0.00421718,
0.0000666
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.00473995,
0.00715839
],
[
0,
0.00473995,
-0.00715839
... | 5.562006 | 14.063979 | pbe | true | 9f0a26b951f6602410c38803c9584792_63_Pa2Mn10P6 |
[
"Mn",
"P",
"Zn"
] | 4 | A2BC | MnP2Zn | Mn1 Zn1 P2 | 3 | [
1,
1,
1
] | 3 | [
[
2.63261701,
-0.00643034,
0
],
[
-0.38950792,
2.60365076,
0
],
[
0,
0,
9.08030084
]
] | agm004356431 | [
[
1.121554545,
1.2986102099999999,
6.751610653623649
],
[
0,
0,
8.415083448642104
],
[
1.121554545,
1.2986102099999999,
2.7620787802002407
],
[
0,
0,
4.771979217534006
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "P", "attached":... | [
"Mn",
"P",
"P",
"Zn"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.935996,
0.17937897,
0
],
[
0.17937897,
2.988771,
0
],
[
0,
0,
3.0988271
]
] | -20.423609 | [
2.605,
-0.049,
0.046,
-0.012
] | [
[
0,
0,
0.00854558
],
[
0,
0,
-0.0029031
],
[
0,
0,
-0.00760391
],
[
0,
0,
0.00196143
]
] | 2.720406 | 2.60227 | pbe | true | f7fe9d41e7db3505f86cd7cd2398fb5e_35_Mn1Zn1P2 |
[
"Ni",
"Sc",
"Sr"
] | 3 | ABC | NiScSr | Sr1 Sc1 Ni1 | 3 | [
1,
1,
1
] | 3 | [
[
4.80943763,
0,
0
],
[
2.40471882,
4.16509517,
0
],
[
2.40471882,
1.38836506,
3.92688938
]
] | agm004045195 | [
[
2.4047188174999996,
1.3883650575,
0.981722345
],
[
0,
0,
0
],
[
4.809437634999999,
2.776730115,
1.96344469
]
] | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Sr", "attached"... | [
"Ni",
"Sc",
"Sr"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
-1.8508309,
0,
0
],
[
0,
-1.8508309,
0
],
[
0,
0,
-1.8508309
]
] | -13.215911 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000136 | 3.3163 | pbe | true | 5d130f30b4db893565519f3acb3971aa_216_Sr1Sc1Ni1 |
[
"Mn",
"Pd",
"Te"
] | 9 | A6B2C | Mn2PdTe6 | Mn2 Te6 Pd1 | 3 | [
1,
1,
1
] | 3 | [
[
5.65638946,
0,
0
],
[
0,
5.96181643,
-3.44205669
],
[
0,
0,
6.88411338
]
] | agm005786908 | [
[
2.82821735555784,
1.9872701560611898,
3.4420601320566897
],
[
2.8281721044421597,
3.97454627393881,
-0.0000034420566900310415
],
[
1.3764025068718249,
3.9434266653011676,
4.607354036659226
],
[
1.3764025068718249,
2.0183778410659725,
1.1653248831127456
... | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Pd", "attached"... | [
"Mn",
"Mn",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Pd"
] | 2023-11-16 06:57:59 | [
0.2222222222222222,
0.1111111111111111,
0.6666666666666666
] | [
[
1.4030101,
0,
0
],
[
0,
0.88600695,
0
],
[
0,
0,
0.8860072
]
] | -44.477061 | [
3.184,
3.184,
-0.092,
-0.092,
-0.092,
-0.092,
-0.092,
-0.092,
0.003
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00099497,
-0.00138977,
0.00080239
],
[
-0.00099497,
0.00138977,
0.00080239
],
[
-0.00099497,
0,
-0.00160477
],
[
0.00099497,
0.00138977,
-0.00080239
],
[
0.00099497,
-0.00138977,
... | 5.985523 | 4.319346 | pbe | true | 814c52ff614e4546b68a4a08e8372051_162_Mn2Te6Pd1 |
[
"Mn",
"Pd",
"Ti"
] | 9 | A6B2C | MnPd2Ti6 | Ti6 Mn1 Pd2 | 3 | [
1,
1,
1
] | 3 | [
[
4.35343577,
0,
-0.17031819
],
[
0,
6.03111638,
0
],
[
-1.93501866,
-3.01555819,
6.28620633
]
] | agm003487319 | [
[
0.07569920518943549,
1.4532825908131222,
1.9391502251179862
],
[
2.3427179048105646,
-1.5622755991868782,
4.176737914882014
],
[
2.3427179048105646,
1.562275599186878,
4.176737914882014
],
[
2.176717885,
1.3928060538019822,
-0.085159095
],
[
0.07... | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ti", "attached"... | [
"Ti",
"Ti",
"Ti",
"Ti",
"Ti",
"Ti",
"Mn",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
0.2222222222222222,
0.6666666666666666
] | [
[
5.221818,
0,
-0.01134962
],
[
0,
5.1521745,
0
],
[
-0.01134969,
0,
4.8848433
]
] | -66.688918 | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00005348,
0.00440072,
0.00169042
],
[
-0.00005348,
0.00440072,
-0.00169042
],
[
-0.00005348,
-0.00440072,
-0.00169042
],
[
0,
0.00121165,
0
],
[
0.00005348,
-0.00440072,
0.00169042
],
[
0,
-0.00121165,
0
],
[
0,
... | -0.001288 | 12.757882 | pbe | true | 74f4a660dcfb5a55aeef92c2dcdf89a5_71_Ti6Mn1Pd2 |
[
"Mn",
"Rh",
"Sc"
] | 4 | A2BC | MnRhSc2 | Sc2 Mn1 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
8.73077516,
0.02376191,
0.01403008
],
[
8.16483676,
3.09231955,
0.01403008
],
[
8.16483676,
1.50585232,
2.70093425
]
] | agm003909408 | [
[
6.26511217,
1.155483445,
0.6822486025
],
[
18.79533651,
3.466450335,
2.0467458075
],
[
0.0973012016718888,
0.0179453974102548,
0.0105957574359306
],
[
12.432923138328112,
2.2930214925897454,
1.3539014475640694
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Rh", "attached"... | [
"Mn",
"Rh",
"Sc",
"Sc"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
6.36559,
-0.03146992,
-0.01858123
],
[
-0.03146992,
6.530418,
-0.00342696
],
[
-0.01858123,
-0.00342696,
6.5341988
]
] | -29.791302 | [
3.195,
-0.038,
-0.15,
-0.15
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00427414,
0.00078829,
0.00046544
],
[
-0.00427414,
-0.00078829,
-0.00046544
]
] | 2.870272 | 3.67617 | pbe | true | 77f2ba8c5d25280cd1bfc579e2d64f43_166_Sc2Mn1Rh1 |
[
"Mn",
"Si",
"Tc"
] | 4 | A2BC | MnSiTc2 | Mn1 Si1 Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.99016912,
0.00055997,
0.00167933
],
[
-2.29074713,
4.24588258,
-0.00158433
],
[
0.40867564,
0.84931944,
2.54706934
]
] | agm003856578 | [
[
-0.9410357450000001,
2.54760101,
1.272742505
],
[
1.349710995,
2.123221275,
0.000047500000000000016
],
[
0,
0,
0
],
[
2.69942238,
0.424939705,
1.274374335
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Si", "attached"... | [
"Mn",
"Si",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
5.271551,
0.04121678,
0.12360863
],
[
0.04121804,
4.6121387,
0.07466759
],
[
0.12361241,
0.07466759,
4.8111672
]
] | -35.451057 | [
2.227,
-0.004,
-0.186,
-0.186
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.87508 | 3.461413 | pbe | true | 41ab7930759c57281ccfe44a5db9b058_12_Mn1Si1Tc2 |
[
"Mn",
"Sn",
"Ta"
] | 4 | A2BC | Mn2SnTa | Ta1 Mn2 Sn1 | 3 | [
1,
1,
1
] | 3 | [
[
4.36482185,
0.00148622,
0.00041945
],
[
2.18108158,
3.78069892,
0.00545356
],
[
2.18166818,
1.25544343,
3.56593754
]
] | agm002221920 | [
[
4.362730407521517,
5.036067467369919,
3.5713791974664217
],
[
4.3638099622591255,
2.5189250241048433,
1.7862430474496174
],
[
2.1818953248906543,
1.259426433157732,
0.8931314697330764
],
[
6.545682297674914,
3.7782495562619953,
2.6791267121436153
]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Sn", "attached"... | [
"Mn",
"Mn",
"Sn",
"Ta"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
5.842015,
-0.09196205,
0.15005893
],
[
-0.09196155,
5.5796,
-0.12099727
],
[
0.15005901,
-0.12099722,
5.645181
]
] | -34.348354 | [
0.626,
0.626,
-0.024,
-0.204
] | [
[
0.00034875,
0.00072548,
0.00151693
],
[
-0.00033965,
-0.00065276,
-0.00075484
],
[
0.0000028,
0.00001855,
0.00017079
],
[
-0.00001191,
-0.00009126,
-0.00093287
]
] | 0.987176 | 3.202303 | pbe | true | 7e343c94a579d6c08037921d779c2e11_225_Ta1Mn2Sn1 |
[
"Mn",
"Te",
"Y"
] | 4 | A2BC | MnTeY2 | Y2 Mn1 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
6.98684968,
-0.03412667,
-0.02105277
],
[
5.66628185,
4.08784577,
-0.02105277
],
[
5.66628185,
1.81532255,
3.66272171
]
] | agm004293959 | [
[
8.067213817552995,
2.5845158309689302,
1.5943897432091139
],
[
14.724728807354406,
4.717402509714962,
2.9101691256651026
],
[
0.5143014095597256,
0.16476817956709802,
0.1016456128305204
],
[
4.172876035532871,
1.3368759547490108,
0.8247197732952629
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Y", "attached":... | [
"Mn",
"Te",
"Y",
"Y"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.61549896,
-0.06435061,
-0.03969794
],
[
-0.06435061,
0.7957444,
-0.01271814
],
[
-0.03969794,
-0.01271814,
0.8085148
]
] | -25.904627 | [
2.525,
-0.019,
-0.002,
-0.045
] | [
[
0.00401048,
0.00128485,
0.00079262
],
[
-0.00521186,
-0.00166974,
-0.00103006
],
[
-0.00009205,
-0.00002949,
-0.00001819
],
[
0.00129342,
0.00041438,
0.00025563
]
] | 2.638251 | 5.442666 | pbe | true | d2c0d5156e36b44208ad8d44f1fcf322_160_Y2Mn1Te1 |
[
"Mo",
"N",
"Ti"
] | 20 | A3BC | MoN3Ti | Ti4 Mo4 N12 | 3 | [
1,
1,
1
] | 3 | [
[
10.43227121,
0,
-0.15036106
],
[
4.35116335,
4.53700895,
-2.60329881
],
[
-4.35116335,
4.53700895,
2.60329881
]
] | agm003105040 | [
[
2.2188157168539333,
3.7077676196544243,
0.5281643874632687
],
[
-1.3538434618539334,
3.7077676196544243,
1.9999538925367317
],
[
8.213455493146066,
5.366250280345575,
-0.6785254474632685
],
[
11.786114671853934,
5.366250280345575,
-2.1503149525367315
]... | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "N", "attached":... | [
"Mo",
"Mo",
"Mo",
"Mo",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"Ti",
"Ti",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
0.7300349,
0,
0.39953825
],
[
0,
0.44634998,
0
],
[
0.39953816,
0,
-0.4636368
]
] | -186.686045 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.01842173,
-0.00974692,
-0.03033761
],
[
-0.01842173,
-0.00974692,
0.03033761
],
[
-0.01842173,
0.00974692,
0.03033761
],
[
0.01842173,
0.00974692,
-0.03033761
],
[
-0.02886938,
0.00634028,
0.0138641
],
[
0.02886938,
0.006340... | -0.000001 | 14.768548 | pbe | true | 041811b4e6ccd36547890f78c481d468_15_Ti4Mo4N12 |
[
"Mo",
"Na",
"Re"
] | 5 | A3BC | Mo3NaRe | Na1 Re1 Mo3 | 3 | [
1,
1,
1
] | 3 | [
[
4.81902448,
0,
0
],
[
0,
4.81902448,
0
],
[
0,
0,
4.81902448
]
] | agm002548880 | [
[
0,
0,
0
],
[
0,
2.40951224,
0
],
[
0,
0,
2.40951224
],
[
2.40951224,
0,
0
],
[
2.40951224,
2.40951224,
2.40951224
]
] | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Re", "attached"... | [
"Re",
"Mo",
"Mo",
"Mo",
"Na"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
4.221229,
0,
0
],
[
0,
4.221229,
0
],
[
0,
0,
4.221229
]
] | -38.243366 | [
0,
0.001,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000966 | 7.030318 | pbe | true | 5abae01e20d37bd32ef7291e21fdc8e0_221_Na1Re1Mo3 |
[
"Mo",
"Nb",
"Sb"
] | 4 | A2BC | MoNbSb2 | Mo1 Nb1 Sb2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.417999642,
3.417999642
],
[
3.417999642,
0,
3.417999642
],
[
3.417999642,
3.417999642,
0
]
] | oqmd-7221738 | [
[
3.4180000000000006,
3.4180000000000006,
3.4180000000000006
],
[
5.127,
5.127,
5.127
],
[
0,
0,
0
],
[
1.7090000000000003,
1.7090000000000003,
1.7090000000000003
]
] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Sb", "attached"... | [
"Mo",
"Nb",
"Sb",
"Sb"
] | 2024-11-01 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
4.81774197,
0,
0
],
[
0,
4.81774197,
0
],
[
0,
0,
4.81774197
]
] | -27.6822 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000712 | null | pbe | true | f5eeb5924655fd61c8975a9b813a5592_216_Nb1Sb2Mo1 |
[
"Mo",
"Nb",
"W"
] | 6 | ABC | MoNbW | Nb2 Mo2 W2 | 3 | [
1,
1,
1
] | 3 | [
[
4.26098461,
0,
0.00194259
],
[
2.1304923,
3.68899441,
0.0009713
],
[
0.01180436,
0,
9.57078191
]
] | agm003604180 | [
[
4.2698378783348145,
1.2285727380214928,
7.180029024165186
],
[
2.1334433916651863,
2.460421671978507,
2.3936667758348134
],
[
4.269837875001451,
3.687924527841212,
7.180029027498549
],
[
2.13344339499855,
0.0010698821587882,
2.39366677250145
],
[
... | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "W", "attached":... | [
"Nb",
"Nb",
"Mo",
"Mo",
"W",
"W"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
5.557354,
0,
0.00958725
],
[
0,
5.5539527,
0
],
[
0.00958725,
0,
5.718984
]
] | -53.079005 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000004 | 6.279831 | pbe | true | d7ef5dfebe96375242326ef50b18732c_194_Nb2Mo2W2 |
[
"Mo",
"Nd",
"Se"
] | 8 | A5B2C | MoNd2Se5 | Nd2 Mo1 Se5 | 3 | [
1,
1,
1
] | 3 | [
[
7.2501119,
-0.00002887,
-0.00017438
],
[
0.00013653,
7.25010478,
-0.00015624
],
[
-3.62489256,
-3.62486907,
3.99983454
]
] | agm003470257 | [
[
0.0002780219447256079,
3.625199091023929,
2.4285491915140365
],
[
3.6251758043964166,
0.00005635798077757546,
2.4285447649284877
],
[
3.6252870107118547,
3.625195165888288,
3.5109715620856563
],
[
5.5337402685546335,
1.7164630553209692,
0.137631716909309... | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Se", "attached"... | [
"Nd",
"Nd",
"Mo",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.125,
0.25,
0.625
] | [
[
1.065284,
0.00001582,
0.00003931
],
[
0.00001582,
1.0652819,
0.00002438
],
[
0.00003931,
0.00002438,
1.1211573
]
] | -46.145669 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-8e-8,
-6e-8,
-0.00134817
],
[
-8e-8,
-6e-8,
-0.00134817
],
[
1.8e-7,
1.3e-7,
0.00312009
],
[
-0.00369694,
0.00369732,
0.00305792
],
[
0.00369743,
0.00369729,
0.00305774
],
[
-0.00369707,
-0.00369703,
0.00305808
],
[
... | 0 | 1.348019 | pbe | true | abc8c80517fd1ef9de49551fe9a612d4_107_Nd2Mo1Se5 |
[
"Mo",
"Ni",
"Rh"
] | 12 | A3B2C | Mo2Ni3Rh | Ni6 Mo4 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
3.75831009,
0,
0
],
[
-1.87915505,
5.66754611,
-0.59409265
],
[
0,
-3.08300638,
7.73241963
]
] | agm003426214 | [
[
1.59007751006863e-8,
1.392464699368656,
4.38238182572842
],
[
1.8791550592533857,
3.2484118380177445,
4.215194058638821
],
[
1.8791531646269806,
-0.5194406839886941,
4.620695251520147
],
[
0.000001875373019687084,
3.103980413988694,
2.517631728479853
]... | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rh", "attached"... | [
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Mo",
"Mo",
"Mo",
"Mo",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.5,
0.16666666666666666
] | [
[
-6.3850417,
0,
0
],
[
0,
-6.3328743,
-0.0471124
],
[
0,
-0.04712263,
-6.646931
]
] | -92.572891 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.00046149,
0.0000504
],
[
0,
-0.00123599,
-0.00303341
],
[
0,
0.00097558,
-0.00544778
],
[
0,
-0.00097558,
0.00544778
],
[
0,
0.00123599,
0.00303341
],
[
0,
-0.00046149,
-0.0000504
],
[
0,
-0.00138998,
... | 0.000005 | 14.938242 | pbe | true | bcaf305449bb54eef6ce24ff536a4b7b_12_Ni6Mo4Rh2 |
[
"Mo",
"Pb",
"Tm"
] | 6 | ABC | MoPbTm | Tm2 Mo2 Pb2 | 3 | [
1,
1,
1
] | 3 | [
[
3.31236748,
0,
0
],
[
0,
3.31236748,
0
],
[
0,
0,
13.32932982
]
] | agm001058120 | [
[
0,
1.65618374,
8.122068506792141
],
[
1.65618374,
0,
5.207261313207858
],
[
1.65618374,
0,
10.719071820609567
],
[
0,
1.65618374,
2.610257999390433
],
[
0,
1.65618374,
12.664306762126207
],
[
1.65618374,
0,
0.6650230578737... | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Tm", "attached"... | [
"Pb",
"Pb",
"Tm",
"Tm",
"Mo",
"Mo"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
4.6582646,
0,
0
],
[
0,
4.6582646,
0
],
[
0,
0,
4.487997
]
] | -38.101467 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0.00668676
],
[
0,
0,
-0.00668676
],
[
0,
0,
-0.00137499
],
[
0,
0,
0.00137499
],
[
0,
0,
-0.01296177
],
[
0,
0,
0.01296177
]
] | 0.000002 | 5.866579 | pbe | true | c71787b416a5b67f1768dfda5a39c75e_129_Tm2Mo2Pb2 |
[
"Mo",
"Pt",
"Ru"
] | 4 | A2BC | MoPtRu2 | Mo1 Ru2 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
9.17642867,
0.00034324,
0.00020121
],
[
8.76365783,
2.72123955,
0.00020121
],
[
8.76365783,
1.3294819,
2.37436783
]
] | agm003994420 | [
[
13.40248377162865,
2.033210327906957,
1.1918860270548253
],
[
20.022196989703936,
3.0374472672766903,
1.7805786770273675
],
[
26.619302817829446,
4.038254575279869,
2.36726084650626
],
[
6.71537751287541,
1.01874959504713,
0.59720009815925
]
] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Pt", "attached"... | [
"Mo",
"Pt",
"Ru",
"Ru"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
9.261676,
-0.06386636,
-0.03743903
],
[
-0.06386636,
9.67298,
-0.00567965
],
[
-0.03743903,
-0.00567965,
9.679339
]
] | -35.297438 | [
0,
0,
0,
0
] | [
[
-0.00830813,
-0.00126038,
-0.00073884
],
[
-0.00420952,
-0.0006386,
-0.00037435
],
[
0.01929943,
0.0029278,
0.0017163
],
[
-0.00678179,
-0.00102882,
-0.00060311
]
] | 0.000424 | 5.330388 | pbe | true | e3acafe186ce0e7fa044698213f43095_160_Mo1Ru2Pt1 |
[
"Mo",
"Pt",
"W"
] | 6 | ABC | MoPtW | Mo2 Pt2 W2 | 3 | [
1,
1,
1
] | 3 | [
[
4.47064486,
0,
0
],
[
-2.23532243,
3.87342103,
0
],
[
0,
0,
5.50178158
]
] | agm001009248 | [
[
2.23532243,
0,
2.75089079
],
[
2.23532243,
0,
0
],
[
-5.3568035023215545e-17,
1.2919100953832219,
1.375445395
],
[
2.23532243,
2.581510934616778,
4.126336185
],
[
-2.2353224248287317e-8,
1.2895262758787287,
4.126336185
],
[
2.2353... | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Pt", "attached": ... | [
"W",
"W",
"Pt",
"Pt",
"Mo",
"Mo"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
8.8858385,
0,
0
],
[
0,
8.649436,
0
],
[
0,
0,
9.647353
]
] | -59.759562 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0.00192589,
0
],
[
0,
-0.00192589,
0
],
[
0,
0.00393194,
0
],
[
0,
-0.00393194,
0
]
] | -0.000004 | 6.801985 | pbe | true | 7b9b1a5426c90c4f047a2e7f0f473bdd_194_Mo2Pt2W2 |
[
"Mo",
"S",
"W"
] | 4 | A2BC | MoSW2 | Mo1 W2 S1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.13764979,
3.13764979
],
[
3.13764979,
0,
3.13764979
],
[
3.13764979,
3.13764979,
0
]
] | agm002730889 | [
[
3.13764979,
3.13764979,
3.13764979
],
[
0,
0,
0
],
[
1.568824895,
1.568824895,
1.568824895
],
[
4.706474685,
4.706474685,
4.706474685
]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "W", "attached": n... | [
"Mo",
"S",
"W",
"W"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.6453473,
0,
0
],
[
0,
0.6453473,
0
],
[
0,
0,
0.6453473
]
] | -38.160618 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.65993 | pbe | true | 88723dfc73bbb440129373317efa3975_225_Mo1W2S1 |
[
"Mo",
"Sn",
"Te"
] | 8 | A2BC | MoSn2Te | Sn4 Te2 Mo2 | 3 | [
1,
1,
1
] | 3 | [
[
6.4701098,
0,
0
],
[
0,
6.4701098,
0
],
[
3.2350549,
3.2350549,
6.72937921
]
] | agm002857332 | [
[
3.2350549,
3.2350549,
0
],
[
3.2350549,
6.4701098,
3.364689605
],
[
0,
0,
0
],
[
6.4701098,
3.2350549,
3.364689605
],
[
4.559831103510144,
1.61752745,
1.6823448025
],
[
1.910278696489856,
4.8525823500000005,
1.6823448025
... | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Sn", "attached"... | [
"Mo",
"Mo",
"Te",
"Te",
"Sn",
"Sn",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.5446825,
0,
0
],
[
0,
2.5446825,
0
],
[
0,
0,
2.0637019
]
] | -37.879093 | [
1.577,
1.564,
0.088,
0.089,
-0.058,
-0.054,
-0.051,
-0.056
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00332779,
0,
0
],
[
-0.00332779,
0,
0
],
[
0,
-0.00332779,
0
],
[
0,
0.00332779,
0
]
] | 3.833576 | 2.798303 | pbe | true | 11f4a88041aa86c02895f859c256bba9_122_Sn4Te2Mo2 |
[
"N",
"Np",
"Tm"
] | 6 | ABC | NNpTm | Tm2 Np2 N2 | 3 | [
1,
1,
1
] | 3 | [
[
3.33533156,
0,
0
],
[
-1.66766578,
2.8882804,
0
],
[
0,
0,
11.89951429
]
] | agm001067608 | [
[
1.6676657851501692e-8,
2.5680064670902363,
0
],
[
6.090405972984741e-17,
2.564607394301496,
5.949757145
],
[
1.6676657800000005,
1.60518753799556,
10.363931353859805
],
[
1.6676657800000005,
1.60518753799556,
1.5355829361401965
],
[
-1.6676657812... | [{"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "N", "attached":... | [
"Np",
"Np",
"N",
"N",
"Tm",
"Tm"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.43776122,
0,
0
],
[
0,
0.63950723,
0
],
[
0,
0,
0.15949403
]
] | -55.813939 | [
-3.211,
4.277,
0.092,
0.092,
0.113,
0.113
] | [
[
0,
-0.00061325,
0
],
[
0,
0.0016742,
0
],
[
0,
-0.00123366,
0.00675584
],
[
0,
-0.00123366,
-0.00675584
],
[
0,
0.00070318,
0.00795786
],
[
0,
0.00070318,
-0.00795786
]
] | 1.760594 | 8.876713 | pbe | true | 2a99f74b3c1ba0debfb189e57539321b_187_Tm2Np2N2 |
[
"N",
"Pa",
"Zr"
] | 22 | A7B3C | N7Pa3Zr | Zr2 Pa6 N14 | 3 | [
1,
1,
1
] | 3 | [
[
6.5325921,
0.14380457,
0
],
[
-2.12758653,
6.17809074,
0
],
[
0,
0,
7.62117576
]
] | agm005971708 | [
[
4.40480518629662,
6.321607726982348,
3.81058788
],
[
0.00020038370337929998,
0.0002875830176519,
0
],
[
2.2023661417272185,
3.160751549807484,
3.81058788
],
[
2.2026394282727813,
3.161143760192516,
0
],
[
3.4762096216228846,
0.102798174202656... | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "N", "attached":... | [
"Zr",
"Zr",
"Pa",
"Pa",
"Pa",
"Pa",
"Pa",
"Pa",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.6363636363636364,
0.2727272727272727,
0.09090909090909091
] | [
[
0.73501325,
0.4060993,
0
],
[
0.4060993,
1.0348672,
0
],
[
0,
0,
1.0118384
]
] | -220.751148 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00053913,
0.00077374,
0
],
[
-0.00053913,
-0.00077374,
0
],
[
0.00032292,
0.00046344,
0
],
[
-0.00032292,
-0.00046344,
0
],
[
0.00254143,
0.003208,
-0.00113568
],
[
-0.00254143,
-0.003208,
-0.00113568
],
[
0.0021... | 0.001583 | 18.489836 | pbe | true | 8fd1dc8911a9f9292e5a6760d8893bc0_63_Zr2Pa6N14 |
[
"N",
"S",
"Si"
] | 6 | ABC | NSSi | Si2 S2 N2 | 3 | [
1,
1,
1
] | 3 | [
[
3.05788503,
0,
0.00406701
],
[
0,
4.36073254,
0
],
[
-2.80982714,
0,
6.84086154
]
] | agm002107310 | [
[
0.6683254201129365,
0,
2.2021996137935123
],
[
-0.7365881498870632,
2.18036627,
5.622630383793512
],
[
-0.9946162934285935,
0,
6.418250233572668
],
[
0.4102972765714067,
2.18036627,
2.997819463572668
],
[
2.199051736334857,
0,
1.252841962... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "N", "attached": n... | [
"Si",
"Si",
"S",
"S",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.24055351,
0,
0.0249442
],
[
0,
0.5308271,
0
],
[
0.02494416,
0,
0.22695924
]
] | -34.735503 | [
0,
0,
0,
0,
0,
0
] | [
[
0.00037029,
0,
-0.00042254
],
[
0.00037029,
0,
-0.00042254
],
[
-0.00187403,
0,
0.00345703
],
[
-0.00187403,
0,
0.00345703
],
[
0.00150374,
0,
-0.00303449
],
[
0.00150374,
0,
-0.00303449
]
] | -0 | 0.388754 | pbe | true | 5c4b4b865462bf7d3e6feff4aac7c1af_8_Si2S2N2 |
[
"N",
"Sc",
"Si"
] | 10 | A3BC | NSc3Si | Sc6 Si2 N2 | 3 | [
1,
1,
1
] | 3 | [
[
3.3413381,
0.00067065,
0
],
[
-1.66941746,
5.68950552,
0
],
[
0,
0,
8.70515077
]
] | agm002346683 | [
[
0.0003252840457440294,
0.5379005255038259,
6.5288630775
],
[
1.6715953559542565,
5.152275644496174,
2.1762876925
],
[
0.0009012225135196034,
4.248862983118392,
4.746594535066325
],
[
1.6710194174864808,
1.4413131868816076,
3.9585562349336745
],
[
... | [{"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "N", "attached":... | [
"Sc",
"Sc",
"Sc",
"Sc",
"Sc",
"Sc",
"Si",
"Si",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
0.40727648,
0.0007963,
0
],
[
0.00079643,
0.27129215,
0
],
[
0,
0,
0.2336129
]
] | -76.802956 | [
0.067,
0.067,
0.042,
0.042,
0.044,
0.044,
0.002,
0.002,
-0.001,
-0.001
] | [
[
-0.00029073,
0.00161608,
0
],
[
0.00029073,
-0.00161608,
0
],
[
0.00036949,
-0.00172675,
0.00081611
],
[
-0.00036949,
0.00172675,
-0.00081611
],
[
-0.00036949,
0.00172675,
0.00081611
],
[
0.00036949,
-0.00172675,
-0.000816... | 0.557911 | 8.821969 | pbe | true | 1f8699375bf851172f7913c092cc552f_63_Sc6Si2N2 |
[
"N",
"Sc",
"Ta"
] | 5 | A3BC | N3ScTa | Sc1 Ta1 N3 | 3 | [
1,
1,
1
] | 3 | [
[
3.91313861,
0,
0
],
[
0,
3.91313861,
0
],
[
0,
0,
3.91313861
]
] | agm002538413 | [
[
0,
0,
0
],
[
0,
1.956569305,
0
],
[
0,
0,
1.956569305
],
[
1.956569305,
0,
0
],
[
1.956569305,
1.956569305,
1.956569305
]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "N", "attached":... | [
"Sc",
"N",
"N",
"N",
"Ta"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
36.283703,
0,
0
],
[
0,
36.283703,
0
],
[
0,
0,
36.283703
]
] | -38.945372 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000048 | 2.604528 | pbe | true | be62e3e16adf52ecbc8592efe3fc4bb3_221_Sc1Ta1N3 |
[
"N",
"Sr",
"V"
] | 8 | A2BC | NSr2V | Sr4 V2 N2 | 3 | [
1,
1,
1
] | 3 | [
[
10.70852633,
0,
0
],
[
0,
10.70852633,
0
],
[
5.35426316,
5.35426316,
1.93740689
]
] | agm002859268 | [
[
6.0662334578842785,
2.6771315812500003,
0.4843517225
],
[
4.642292869615721,
8.03139474625,
0.4843517225
],
[
8.03139474375,
9.996556032115722,
1.4530551675
],
[
13.38565790875,
11.420496620384279,
1.4530551675
],
[
0,
0,
0
],
[
1... | [{"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "V", "attached": n... | [
"Sr",
"Sr",
"Sr",
"Sr",
"V",
"V",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.37282446,
0,
0
],
[
0,
0.37282446,
0
],
[
0,
0,
0.42258734
]
] | -43.36395 | [
0.029,
0.029,
0.029,
0.029,
2.005,
2.005,
-0.159,
-0.159
] | [
[
-0.00209639,
0,
0
],
[
0.00209639,
0,
0
],
[
0,
0.00209639,
0
],
[
0,
-0.00209639,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.619254 | 6.160413 | pbe | true | 0af8c37f1d0d5a19dcf8ea4528c0e39f_122_Sr4V2N2 |
[
"N",
"Sn",
"Tc"
] | 20 | A3BC | NSnTc3 | Tc12 Sn4 N4 | 3 | [
1,
1,
1
] | 3 | [
[
18.20259703,
0,
8.91537751
],
[
0,
5.29651549,
0
],
[
-5.2871863,
0,
0.54399977
]
] | agm003109096 | [
[
-0.7919093551099247,
1.1692638971924254,
2.571693830975694
],
[
13.707320085109924,
4.127251592807575,
6.887683449024307
],
[
1.9624284201099245,
3.817521642192425,
2.7019945790243067
],
[
10.952982309890075,
1.4789938478075746,
6.757382700975694
],
... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "N", "attached":... | [
"N",
"N",
"N",
"N",
"Sn",
"Sn",
"Sn",
"Sn",
"Tc",
"Tc",
"Tc",
"Tc",
"Tc",
"Tc",
"Tc",
"Tc",
"Tc",
"Tc",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
0.41606498,
0,
-0.83797
],
[
0,
-0.13476098,
0
],
[
-0.83797103,
0,
0.01554135
]
] | -170.398861 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0.001,
0,
-0.001,
0.001,
0,
-0.001,
0,
-0.001,
-0.001,
0.001,
0.001
] | [
[
-0.00015738,
0.00376712,
0.00350266
],
[
0.00015738,
-0.00376712,
-0.00350266
],
[
0.00015738,
0.00376712,
-0.00350266
],
[
-0.00015738,
-0.00376712,
0.00350266
],
[
0.00113964,
-0.00530285,
-0.00391532
],
[
-0.00113964,
0.005... | 0 | 13.484456 | pbe | true | 526dd4c8e8d9eece1250836acbb89da8_14_Tc12Sn4N4 |
[
"N",
"Tl",
"V"
] | 8 | A2BC | NTl2V | Tl4 V2 N2 | 3 | [
1,
1,
1
] | 3 | [
[
7.47247944,
0,
0
],
[
0,
7.47247944,
0
],
[
3.73623972,
3.73623972,
2.76063414
]
] | agm002859269 | [
[
5.098143633917462,
1.86811986,
0.690158535
],
[
2.3743358060825375,
5.60435958,
0.690158535
],
[
5.60435958,
6.110575526082537,
2.070475605
],
[
9.3405993,
8.834383353917461,
2.070475605
],
[
0,
0,
0
],
[
7.47247944,
3.7362397... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "V", "attached": n... | [
"Tl",
"Tl",
"Tl",
"Tl",
"V",
"V",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.42176643,
0,
0
],
[
0,
0.42176643,
0
],
[
0,
0,
0.20408662
]
] | -36.223487 | [
0.001,
0.001,
0.001,
0.001,
2.754,
2.754,
0.004,
0.004
] | [
[
-0.00111168,
0,
0
],
[
0.00111168,
0,
0
],
[
0,
0.00111168,
0
],
[
0,
-0.00111168,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 6.604176 | 6.13568 | pbe | true | 261f17004202c16e3740871d385f10e6_122_Tl4V2N2 |
[
"Na",
"Nd",
"Zr"
] | 4 | A2BC | NaNd2Zr | Na1 Nd2 Zr1 | 3 | [
1,
1,
1
] | 3 | [
[
3.46184892,
0,
0
],
[
0,
3.46184892,
0
],
[
0,
0,
10.63187734
]
] | agm001814217 | [
[
1.73092446,
1.73092446,
5.31593867
],
[
0,
0,
8.30981685361863
],
[
0,
0,
2.3220604863813703
],
[
1.73092446,
1.73092446,
0
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Nd", "attached"... | [
"Na",
"Nd",
"Nd",
"Zr"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.77216005,
0,
0
],
[
0,
0.77216005,
0
],
[
0,
0,
1.3097694
]
] | -18.891239 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0.00485978
],
[
0,
0,
-0.00485978
],
[
0,
0,
0
]
] | 0.000004 | 4.288586 | pbe | true | cfde4d9d662ef2a12c75b74e74a05a0d_123_Na1Nd2Zr1 |
[
"Na",
"Ni",
"P"
] | 5 | A2B2C | NaNi2P2 | Na1 Ni2 P2 | 3 | [
1,
1,
1
] | 3 | [
[
-1.933769076,
1.933769076,
4.605423306
],
[
1.933769076,
-1.933769076,
4.605423306
],
[
1.933769076,
1.933769076,
-4.605423306
]
] | oqmd-7753246 | [
[
0,
0,
0
],
[
-4.297537079717442e-17,
1.93377,
2.3027099999999994
],
[
1.93377,
6.804693166534122e-17,
2.3027099999999994
],
[
-3.830951517725558e-17,
3.830951517725558e-17,
3.48062
],
[
-8.436193876513154e-17,
8.436193876513154e-17,
5.730... | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "P", "attached":... | [
"Na",
"Ni",
"Ni",
"P",
"P"
] | 2024-11-01 00:00:00 | [
0.2,
0.4,
0.4
] | [
[
16.38150437,
0,
0
],
[
0,
16.38150437,
0
],
[
0,
0,
19.44921725
]
] | -25.8677 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.041133
],
[
0,
0,
-0.041133
]
] | -0.003053 | null | pbe | true | 9552a025eafef44141e7fc5058db839d_139_Na1Ni2P2 |
[
"Na",
"O",
"Pd"
] | 13 | A8B3C2 | Na2O8Pd3 | Na2 Pd3 O8 | 3 | [
1,
1,
1
] | 3 | [
[
4.97017685,
0.05219537,
-1.65783324
],
[
-1.0765435,
5.2562273,
-3.06198773
],
[
0.16997374,
0.1941504,
6.50519998
]
] | agm005629757 | [
[
1.5043947235639885,
1.5849255485786775,
2.1917742046463187
],
[
2.5592123664360114,
3.9176475214213227,
-0.4063951946463187
],
[
2.485088425,
0.026097685,
-0.82891662
],
[
-0.275560848089525,
1.345426777960495,
-0.7837713345707995
],
[
4.33916793... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Pd", "attached": ... | [
"Na",
"Na",
"Pd",
"Pd",
"Pd",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.15384615384615385,
0.6153846153846154,
0.23076923076923078
] | [
[
1.1021636,
-0.22976378,
-0.2590762
],
[
-0.22976454,
1.334995,
-0.18032695
],
[
-0.2590775,
-0.18032724,
1.2686393
]
] | -65.677781 | [
0.002,
0.002,
0.185,
0.215,
0.215,
0.177,
0.177,
-0.004,
-0.004,
0.208,
0.208,
0.208,
0.208
] | [
[
-0.00203442,
-0.00061098,
-0.00033354
],
[
0.00203442,
0.00061098,
0.00033354
],
[
0,
0,
0
],
[
0.00017714,
-0.00086488,
0.00050383
],
[
-0.00017714,
0.00086488,
-0.00050383
],
[
0.00136773,
-0.00126186,
-0.00264699
],
... | 2.06673 | 5.822675 | pbe | true | fdd3a026daf71eb3a3283623153416da_12_Na2Pd3O8 |
[
"Na",
"Rb",
"Sb"
] | 16 | A5B2C | NaRb5Sb2 | Rb10 Na2 Sb4 | 3 | [
1,
1,
1
] | 3 | [
[
6.44561376,
-0.00024314,
-0.00001334
],
[
-3.22301693,
5.58195133,
0.000038
],
[
-0.00004428,
0.00012192,
22.27305401
]
] | agm005875036 | [
[
-0.000011314027233400004,
0.000054660182194600005,
8.252148915035054
],
[
-3.223007809014683,
5.581949653978663,
2.8856820902687845
],
[
3.223148729488382,
1.86027666090906,
5.5692252376518
],
[
6.445560359014682,
-0.00011954397866309999,
19.387396579731... | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Rb", "attached"... | [
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Na",
"Na",
"Sb",
"Sb",
"Sb",
"Sb"
] | 2023-11-16 06:57:59 | [
0.125,
0.625,
0.25
] | [
[
0.24474442,
0.00070057,
0.00001972
],
[
0.00070056,
0.24551255,
-0.00006886
],
[
0.00001972,
-0.00006884,
0.14559399
]
] | -34.354889 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.000009,
-0.00001146,
0.00050036
],
[
0.00000692,
-0.00000756,
-0.00340394
],
[
0.00001234,
-0.00000439,
-0.00296668
],
[
-0.00000692,
0.00000756,
0.00340394
],
[
-0.00000138,
-9e-7,
0.00121598
],
[
-0.00001234,
0.00000439,
... | 0.000002 | 19.460674 | pbe | true | 48145616850e8fde844b8ab94a97d147_194_Rb10Na2Sb4 |
[
"Na",
"Rh",
"Sr"
] | 10 | A3BC | NaRhSr3 | Na2 Sr6 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
3.87520224,
-13.25911001,
0
],
[
3.87520224,
13.25911001,
0
],
[
0,
0,
6.14456458
]
] | agm003116467 | [
[
5.93505355127281,
5.380938383576596,
1.536141145
],
[
1.8153509287271903,
5.380938383576595,
1.536141145
],
[
5.9350535512728095,
-5.380938383576595,
4.608423435
],
[
1.8153509287271905,
-5.380938383576595,
4.608423435
],
[
0,
0,
0
],
... | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Rh",
"Rh",
"Na",
"Na"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
1.0017457,
0,
0
],
[
0,
0.6854879,
0
],
[
0,
0,
0.7949421
]
] | -21.966034 | [
-0.009,
-0.008,
-0.008,
-0.009,
0.273,
0.274,
0.009,
0.009,
0.003,
0.003
] | [
[
-0.00405883,
-0.00053617,
0
],
[
0.00405883,
-0.00053617,
0
],
[
-0.00405883,
0.00053617,
0
],
[
0.00405883,
0.00053617,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0.00955019,
0
],
[
0,
-0.00955019,
... | 1.45693 | 10.818164 | pbe | true | 144099bc3372fe4d37fea91ea1641d31_63_Na2Sr6Rh2 |
[
"Na",
"Se",
"Te"
] | 4 | A2BC | NaSeTe2 | Na1 Te2 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
2.14959027,
0,
10.03017685
],
[
-1.07479514,
1.86159978,
10.03017685
],
[
-1.07479514,
-1.86159978,
10.03017685
]
] | agm002773744 | [
[
-4.999999969612645e-9,
0,
15.045265275
],
[
-9.119497154221044e-9,
1.3222218509292817e-17,
27.44105121062925
],
[
-8.805027027755107e-10,
-1.1301529623577977e-17,
2.6494793393707488
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Te", "attached"... | [
"Na",
"Te",
"Te",
"Se"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.3256753,
0,
0
],
[
0,
0.3256753,
0
],
[
0,
0,
-0.13238513
]
] | -11.10886 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0.00415477
],
[
0,
0,
-0.00415477
],
[
0,
0,
0
]
] | 0 | 2.438455 | pbe | true | e32889ad2d3991079f8fe5b4c3a13c14_166_Na1Te2Se1 |
[
"Na",
"Se",
"Ti"
] | 4 | A2BC | NaSe2Ti | Na1 Ti1 Se2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.37657948,
3.37657948
],
[
3.37657948,
0,
3.37657948
],
[
3.37657948,
3.37657948,
0
]
] | agm002712322 | [
[
0,
0,
0
],
[
1.68828974,
1.68828974,
1.68828974
],
[
5.06486922,
5.06486922,
5.06486922
],
[
3.37657948,
3.37657948,
3.37657948
]
] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ti", "attached"... | [
"Na",
"Se",
"Se",
"Ti"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.596693,
0,
0
],
[
0,
0.596693,
0
],
[
0,
0,
0.596693
]
] | -18.925535 | [
0.004,
-0.095,
-0.095,
1.107
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.128225 | 9.187455 | pbe | true | c07b3ff6d7f799d61ef4dcb1426b74cd_225_Na1Ti1Se2 |
[
"Na",
"Sn",
"Tl"
] | 20 | A12B7C | NaSn7Tl12 | Na1 Tl12 Sn7 | 3 | [
1,
1,
1
] | 3 | [
[
10.15423486,
3e-8,
3.55777962
],
[
-4.70903976,
6.93676268,
2.59373157
],
[
0.73615709,
-0.00000127,
8.74524161
]
] | agm005800484 | [
[
0,
0,
0
],
[
4.062202403869679,
1.8269191256374508,
4.746585715407567
],
[
-0.6957951475511501,
5.134059791665364,
7.337978399349279
],
[
2.1988697992461748,
1.7419344584014032,
1.8843723237861647
],
[
2.2260632570470618,
6.897291153543749,
... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Na", "attached"... | [
"Na",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.05,
0.35,
0.6
] | [
[
5.6979465,
-5.6e-7,
0.01135368
],
[
-2.3e-7,
5.6655393,
-8.4e-7
],
[
0.01135368,
8e-8,
5.6695185
]
] | -57.303039 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
-0.00099268,
-0.00060911,
-0.00191953
],
[
0.00190282,
0.00098003,
-0.0006781
],
[
0.00111616,
0.00089076,
-0.00282122
],
[
0.00013242,
0.00307082,
-0.00074235
],
[
0.00155397,
-0.00158913,
0.00031755
],
[... | -0 | 11.065456 | pbe | true | f02f7176e65d43223f111ea0bef6f9a4_148_Na1Tl12Sn7 |
[
"Nb",
"Ni",
"P"
] | 12 | A4BC | Nb4NiP | Nb8 Ni2 P2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
0,
4.99120461
],
[
6.16434913,
0,
0
],
[
0,
6.16434913,
0
]
] | mp-1103609 | [
[
4.071109630236518,
1.012605919321753,
2.495602305
],
[
2.093239499763482,
5.151743210678247,
2.495602305
],
[
5.151743210678247,
4.071109630236518,
2.495602305
],
[
1.012605919321753,
2.093239499763482,
2.495602305
],
[
2.093239499763482,
1.0... | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "P", "attached":... | [
"Nb",
"Nb",
"Nb",
"Nb",
"Nb",
"Nb",
"Nb",
"Nb",
"Ni",
"Ni",
"P",
"P"
] | 2018-07-18 18:49:25 | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
[
3.18499943,
0,
0
],
[
0,
3.18499943,
0
],
[
0,
0,
9.87926569
]
] | -108.528652 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.024471,
-0.06189908,
0
],
[
-0.024471,
0.06189908,
0
],
[
0.06189908,
0.024471,
0
],
[
-0.06189908,
-0.024471,
0
],
[
-0.024471,
-0.06189908,
0
],
[
0.024471,
0.06189908,
0
],
[
-0.06189908,
0.024471,
0
... | 0 | 6.55176 | pbe | true | 61ae9b3db41dc7a169e1fff932537b6c_124_Nb8Ni2P2 |
[
"Nb",
"Ni",
"Pd"
] | 12 | A9B2C | Nb2Ni9Pd | Nb2 Ni9 Pd1 | 3 | [
1,
1,
1
] | 3 | [
[
3.67341895,
0,
0
],
[
0,
3.67341895,
0
],
[
0,
0,
10.99787334
]
] | agm005864643 | [
[
0,
0,
3.591913131355338
],
[
0,
0,
7.405960208644663
],
[
1.836709475,
1.836709475,
0
],
[
1.836709475,
1.836709475,
3.701216705310995
],
[
1.836709475,
1.836709475,
7.296656634689004
],
[
1.836709475,
0,
1.868574093618154... | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pd", "attached"... | [
"Nb",
"Nb",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Pd"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.75,
0.08333333333333333
] | [
[
-11.185286,
0,
0
],
[
0,
-11.185286,
0
],
[
0,
0,
-10.611476
]
] | -79.500406 | [
0,
0,
0.001,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
-0.00188682
],
[
0,
0,
0.00188682
],
[
0,
0,
0
],
[
0,
0,
0.00295375
],
[
0,
0,
-0.00295375
],
[
0,
0,
0.00681435
],
[
0,
0,
0
],
[
0,
0,
-0.00681435
],
[
0,
0,
0.00681... | 0.001255 | 7.719316 | pbe | true | c77f33f9320063654a6784da56cd8eaa_123_Nb2Ni9Pd1 |
[
"Nb",
"P",
"V"
] | 6 | ABC | NbPV | Nb2 V2 P2 | 3 | [
1,
1,
1
] | 3 | [
[
3.23988666,
-0.00020703,
0.00033717
],
[
-1.51915579,
4.55920471,
0.0002097
],
[
-0.01046819,
-2.4047064,
6.13047677
]
] | agm002125828 | [
[
1.3366141012898562,
-2.1404745646558436,
5.477811911786631
],
[
1.2871434543553395,
0.3339069089479646,
3.1182242782227076
],
[
1.5204068472759595,
2.7303647542622884,
3.1997414590013866
],
[
-0.20454203189813527,
2.2158548379328624,
1.2991973632279823
... | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": n... | [
"Nb",
"Nb",
"V",
"V",
"P",
"P"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
3.3066926,
-0.07252647,
-0.07501223
],
[
-0.07252594,
3.1280854,
0.00445919
],
[
-0.07501257,
0.00445838,
2.9202247
]
] | -52.568843 | [
0,
0,
0,
0,
0,
0
] | [
[
-0.00006215,
-0.00150076,
-0.00263205
],
[
0.00299345,
-0.00432262,
0.00305774
],
[
-0.00493594,
0.00657624,
0.00312255
],
[
-0.00015288,
0.00319528,
-0.00643522
],
[
-0.00041475,
-0.0031741,
0.00129948
],
[
0.00257228,
-0.000... | 0.000019 | 3.546801 | pbe | true | 7a86b83fb2fd8d3ab51370f148562a14_1_Nb2V2P2 |
[
"Nb",
"Pd",
"S"
] | 6 | ABC | NbPdS | Nb2 Pd2 S2 | 3 | [
1,
1,
1
] | 3 | [
[
3.06423278,
0,
0
],
[
0,
3.07700684,
0
],
[
0,
0,
10.5460525
]
] | agm002130620 | [
[
0,
0,
3.694651408048025
],
[
0,
1.53850342,
8.967677658048025
],
[
1.53211639,
0,
10.2415348122204
],
[
1.53211639,
1.53850342,
4.9685085622204
],
[
1.53211639,
0,
7.067015557156576
],
[
1.53211639,
1.53850342,
1.793989307... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Pd", "attached": ... | [
"Nb",
"Nb",
"S",
"S",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
3.7049203,
0,
0
],
[
0,
3.6919107,
0
],
[
0,
0,
3.752221
]
] | -41.96264 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
-0.00228459
],
[
0,
0,
-0.00228459
],
[
0,
0,
-0.00188869
],
[
0,
0,
-0.00188869
],
[
0,
0,
0.00417328
],
[
0,
0,
0.00417328
]
] | 0.000001 | 2.934381 | pbe | true | 529e8c90be17c7309d75b2a93a02a483_38_Nb2Pd2S2 |
[
"Nb",
"Pt",
"Rh"
] | 12 | A3B2C | Nb2PtRh3 | Nb4 Pt2 Rh6 | 3 | [
1,
1,
1
] | 3 | [
[
3.99288019,
0,
0
],
[
-1.99644009,
6.02803527,
-0.61453403
],
[
0,
-3.2633798,
8.218663
]
] | agm003416138 | [
[
1.9964400952288304,
-2.4885980677289297,
6.934077920741606
],
[
4.771169658558371e-9,
5.25325353772893,
0.6700510492583936
],
[
1.9964421142862168,
3.0078698971668123,
0.8203032538013872
],
[
-0.000002014286216380284,
-0.24321442716681207,
6.783825716198... | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pt", "attached"... | [
"Nb",
"Nb",
"Nb",
"Nb",
"Pt",
"Pt",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.16666666666666666,
0.5
] | [
[
9.615103,
0,
0
],
[
0,
9.583151,
0.11916017
],
[
0,
0.11915776,
9.637266
]
] | -101.176081 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.00329367,
0.00312217
],
[
0,
-0.00329367,
-0.00312217
],
[
0,
0.00285783,
-0.00028911
],
[
0,
-0.00285783,
0.00028911
],
[
0,
0.00013494,
-0.00244615
],
[
0,
-0.00013494,
0.00244615
],
[
0,
-0.00293746,
... | 0.000014 | 10.680305 | pbe | true | 8a524145a027c4556ac5febfb9b343d9_12_Nb4Pt2Rh6 |
[
"Nb",
"Ru",
"S"
] | 5 | A3BC | NbRuS3 | Nb1 Ru1 S3 | 3 | [
1,
1,
1
] | 3 | [
[
4.52032908,
0,
0
],
[
0,
4.52032908,
0
],
[
0,
0,
4.52032908
]
] | agm002582002 | [
[
0,
0,
0
],
[
2.26016454,
2.26016454,
2.26016454
],
[
0,
2.26016454,
0
],
[
0,
0,
2.26016454
],
[
2.26016454,
0,
0
]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Ru", "attached": ... | [
"Ru",
"Nb",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
8.121084,
0,
0
],
[
0,
8.121084,
0
],
[
0,
0,
8.121084
]
] | -28.814247 | [
0,
-0.002,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000975 | 6.002849 | pbe | true | 58211251805c482f25116967e061979c_221_Nb1Ru1S3 |
[
"Nb",
"Sn",
"Zn"
] | 6 | ABC | NbSnZn | Nb2 Zn2 Sn2 | 3 | [
1,
1,
1
] | 3 | [
[
4.1984763,
0,
0
],
[
0,
2.96633667,
0
],
[
0,
0,
9.08840523
]
] | agm001024906 | [
[
0,
2.957323367038105,
3.2200997697377685
],
[
2.09923815,
0.009013302961895099,
7.764302384737769
],
[
0,
1.4944135393357698,
8.940090454443002
],
[
2.09923815,
1.4719231306642302,
4.395887839443002
],
[
2.09923815,
1.4722123484895553,
1.... | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Zn", "attached"... | [
"Nb",
"Nb",
"Zn",
"Zn",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
3.8359952,
0,
0
],
[
0,
3.5863514,
0
],
[
0,
0,
3.4667075
]
] | -30.053712 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0.00015859,
0.00297055
],
[
0,
-0.00015859,
0.00297055
],
[
0,
-0.00006183,
-0.00270616
],
[
0,
0.00006183,
-0.00270616
],
[
0,
0.00484076,
-0.00026439
],
[
0,
-0.00484076,
-0.00026439
]
] | -0.000023 | 3.017704 | pbe | true | a318316af2430430a8f4c788b37fdfd4_31_Nb2Zn2Sn2 |
[
"Nd",
"Ni",
"U"
] | 19 | A17BC | NdNi17U | Nd1 U1 Ni17 | 3 | [
1,
1,
1
] | 3 | [
[
6.20781489,
0.01456706,
0.74868668
],
[
0.66554936,
6.17205109,
0.74868668
],
[
0.01618403,
0.01456707,
6.25277843
]
] | agm005761158 | [
[
4.553437562293771,
4.098484917140164,
5.122227298487602
],
[
2.299641927318291,
2.0698752590755487,
2.5869002255348015
],
[
1.843564957417278,
0.0383912140769223,
4.612057685586518
],
[
4.553163632959754,
1.8293713590007115,
0.7703113406350953
],
[
... | [{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "U", "attached":... | [
"Nd",
"U",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni"
] | 2023-11-16 06:57:59 | [
0.05263157894736842,
0.8947368421052632,
0.05263157894736842
] | [
[
-12.08863,
-0.02966162,
-0.03707212
],
[
-0.02966162,
-12.082371,
-0.03336819
],
[
-0.03707212,
-0.03336819,
-12.097378
]
] | -117.085428 | [
-0.069,
-1.54,
0.368,
0.368,
0.368,
0.368,
0.368,
0.368,
0.386,
0.386,
0.386,
0.404,
0.404,
0.404,
0.467,
0.467,
0.467,
0.396,
0.342
] | [
[
-0.00315465,
-0.00283946,
-0.00354871
],
[
-0.00405023,
-0.00364555,
-0.00455616
],
[
-0.0047607,
0.00954135,
-0.0016773
],
[
-0.002719,
-0.00573512,
0.008731
],
[
0.00937253,
-0.00210252,
-0.00492443
],
[
-0.00598866,
-0.0021... | 4.462583 | 25.78201 | pbe | true | 1402e6e3ee54f808368a0f53e8f240a4_160_Nd1U1Ni17 |
[
"Nd",
"Ni",
"Zn"
] | 4 | A2BC | NdNiZn2 | Nd1 Zn2 Ni1 | 3 | [
1,
1,
1
] | 3 | [
[
4.17874256,
0,
0
],
[
2.08937128,
3.61889721,
0
],
[
2.08937128,
1.20629907,
5.10565667
]
] | agm001951106 | [
[
4.17874256,
2.41259814,
2.552828335
],
[
6.26811384,
3.61889721,
3.1405389936432657
],
[
2.08937128,
1.20629907,
1.9651176763567344
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Nd", "attached"... | [
"Ni",
"Zn",
"Zn",
"Nd"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
-1.4644134,
0,
0
],
[
0,
-1.4644134,
0
],
[
0,
0,
-1.5406947
]
] | -14.187334 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0.00049792
],
[
0,
0,
-0.00049792
],
[
0,
0,
0
]
] | 0.000027 | 3.181132 | pbe | true | cb554339ee44adbcf8341e691a7d4bcc_166_Nd1Zn2Ni1 |
[
"Nd",
"O",
"Pm"
] | 20 | A6B3C | NdO6Pm3 | Pm6 Nd2 O12 | 3 | [
1,
1,
1
] | 3 | [
[
5.92909082,
0,
-0.02276192
],
[
0,
6.16964026,
0
],
[
0.04346174,
0,
8.85811171
]
] | agm003568504 | [
[
3.095764751600247,
5.883204654415876,
6.628469221906016
],
[
2.96454541,
3.08482013,
-0.01138096
],
[
2.8767878083997527,
0.28643560558412384,
2.206880568093983
],
[
0.109488471600247,
3.3712557355841244,
2.210794326906017
],
[
0.02173087,
0,... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pm", "attached": ... | [
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Nd",
"Nd",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.3
] | [
[
0.40638718,
0,
-0.01338874
],
[
0,
0.3881824,
0
],
[
-0.01338879,
0,
0.7540718
]
] | -163.308879 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00350693,
0.00078442,
-0.00151774
],
[
0,
0,
0
],
[
-0.00350693,
-0.00078442,
0.00151774
],
[
0.00350693,
-0.00078442,
-0.00151774
],
[
0,
0,
0
],
[
-0.00350693,
0.00078442,
0.00151774
],
[
0,
0,
0
],
... | 0.000001 | 0 | pbe | true | 349010019e951560873e6193bfdb84fc_14_Pm6Nd2O12 |
[
"Nd",
"P",
"Pd"
] | 21 | A12B7C2 | Nd2P7Pd12 | Nd2 P7 Pd12 | 3 | [
1,
1,
1
] | 3 | [
[
4.07533496,
0,
0
],
[
0,
8.46621624,
-4.88797195
],
[
0,
-3e-8,
9.77594299
]
] | agm005669648 | [
[
1.0208208733264958,
2.8220692379279098,
4.887976231304981
],
[
3.054514086673504,
5.64414697207209,
-0.000005191304979684803
],
[
2.03766748,
0,
0
],
[
1.0108086311501177,
7.483216562846893,
-1.4361861420201303
],
[
1.0108086311501177,
3.4808... | [{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "P", "attached":... | [
"Nd",
"Nd",
"P",
"P",
"P",
"P",
"P",
"P",
"P",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.09523809523809523,
0.3333333333333333,
0.5714285714285714
] | [
[
5.8456535,
0,
0
],
[
0,
6.1246133,
-5.5e-7
],
[
0,
-1.6e-7,
6.124612
]
] | -124.562004 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00372599,
0,
0
],
[
-0.00372599,
0,
0
],
[
0,
0,
0
],
[
-0.00113917,
0.00161958,
-0.00126731
],
[
-0.00113917,
-0.00190732,
-0.00076894
],
[
-0.00113917,
0.00028773,
0.00203626
],
[
0.00113917,
-0.00161958,
... | -0.000005 | 10.143981 | pbe | true | 4ca8532d8e6c70b6841c6fd4e1464b93_147_Nd2P7Pd12 |
[
"Nd",
"Pb",
"Pm"
] | 7 | A3B2C2 | Nd3Pb2Pm2 | Pm2 Nd3 Pb2 | 3 | [
1,
1,
1
] | 3 | [
[
3.60262549,
0,
0
],
[
0,
8.19510746,
-0.87393291
],
[
-1.80131275,
-3.5759726,
8.19102653
]
] | agm003308665 | [
[
1.8013127412004342,
3.2708361467333336,
5.585874656810284
],
[
-1.2004346828952824e-9,
1.3482987132666657,
1.7312189631897166
],
[
0,
4.09755373,
-0.436966455
],
[
-2.1196908355811654e-9,
4.859943735660892,
2.792553991397889
],
[
1.80131274211969... | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pm", "attached"... | [
"Pm",
"Pm",
"Nd",
"Nd",
"Nd",
"Pb",
"Pb"
] | 2023-11-16 06:57:59 | [
0.42857142857142855,
0.2857142857142857,
0.2857142857142857
] | [
[
1.9216535,
0,
0
],
[
0,
1.9008924,
0.11628692
],
[
0,
0.11628671,
1.6394432
]
] | -32.461127 | [
0.001,
0.001,
0.064,
0.02,
0.02,
-0.001,
-0.001
] | [
[
0,
0.00374931,
-0.00004372
],
[
0,
-0.00374931,
0.00004372
],
[
0,
0,
0
],
[
0,
0.00166081,
0.00239728
],
[
0,
-0.00166081,
-0.00239728
],
[
0,
0.00198566,
0.00148767
],
[
0,
-0.00198566,
-0.00148767
]
] | 0.186724 | 8.531456 | pbe | true | aebf9ce607baacc5aa917d95350ca8c2_12_Pm2Nd3Pb2 |
[
"Nd",
"Pm",
"Pr"
] | 4 | A2BC | NdPmPr2 | Pm1 Pr2 Nd1 | 3 | [
1,
1,
1
] | 3 | [
[
3.6046815,
0,
0
],
[
0,
5.75744359,
0
],
[
-1.80234075,
0,
6.84331311
]
] | agm003611907 | [
[
1.8023407680234074,
2.878721795,
4.182169338368798
],
[
0.0000018203641575279252,
2.878721795,
0.8529199564207983
],
[
2.5819036868170998e-17,
0,
2.577327762290627
],
[
0.0000017843173425741029,
0,
6.074209094486647
]
] | [{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pm", "attached"... | [
"Pm",
"Pr",
"Pr",
"Nd"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.2633784,
0,
0
],
[
0,
1.3964746,
0
],
[
0,
0,
1.2156987
]
] | -18.886517 | [
0,
0,
0,
0
] | [
[
0,
0,
-0.00059387
],
[
0,
0,
-0.00072595
],
[
0,
0,
-0.00135693
],
[
0,
0,
0.00267674
]
] | 0 | 5.396772 | pbe | true | 5e40238ee584ec3a22078b87a1cfa3cb_38_Pm1Pr2Nd1 |
[
"Nd",
"Pr",
"Sc"
] | 12 | A5B5C2 | Nd5Pr5Sc2 | Pr5 Nd5 Sc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.00953987,
0,
1.07047639
],
[
2.2082045,
7.58651562,
1.92308701
],
[
0.30334289,
0.64687379,
10.8373174
]
] | agm005663821 | [
[
6.1711281646627,
6.593192445613066,
7.891453844768139
],
[
3.1415378789051096,
6.125542048932582,
9.812219592671934
],
[
4.379549381094891,
2.107847361067418,
4.018661207328066
],
[
1.3499590953373009,
1.6401969643869339,
5.939426955231862
],
[
0... | [{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Sc", "attached"... | [
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Sc",
"Sc"
] | 2023-11-16 06:57:59 | [
0.4166666666666667,
0.4166666666666667,
0.16666666666666666
] | [
[
0.9005419,
-0.00226413,
0.01042221
],
[
-0.00226417,
0.8949789,
0.01059609
],
[
0.01042221,
0.01059593,
0.85399556
]
] | -59.94525 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00017452,
0.00373581,
0.00081669
],
[
0.00044802,
-0.00039569,
-0.00209662
],
[
-0.00044802,
0.00039569,
0.00209662
],
[
0.00017452,
-0.00373581,
-0.00081669
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00080105,
-0.000... | 0.000379 | 19.163832 | pbe | true | e5c5727faf284aa501814762bceba21d_12_Pr5Nd5Sc2 |
[
"Nd",
"Pr",
"Y"
] | 13 | A8B3C2 | Nd2Pr3Y8 | Pr3 Nd2 Y8 | 3 | [
1,
1,
1
] | 3 | [
[
5.67965589,
0,
0.77180503
],
[
0,
7.75350215,
0
],
[
-1.38981535,
-3.87675107,
10.17020382
]
] | agm003354330 | [
[
2.839827945,
0,
0.385902515
],
[
5.67965589,
2.2653972461961733,
0.77180503
],
[
-1.38981535,
1.6113538338038262,
10.17020382
],
[
2.161062733620858,
-3.6350414223345897e-8,
5.30143756934156
],
[
2.1287778063791425,
3.8767511163504143,
5.... | [{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Y", "attached":... | [
"Pr",
"Pr",
"Pr",
"Nd",
"Nd",
"Y",
"Y",
"Y",
"Y",
"Y",
"Y",
"Y",
"Y"
] | 2023-11-16 06:57:59 | [
0.15384615384615385,
0.23076923076923078,
0.6153846153846154
] | [
[
1.9087753,
0,
0.00966563
],
[
0,
1.8492777,
0
],
[
0.00966562,
0,
1.9184222
]
] | -72.357778 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0.00446003,
0
],
[
0,
-0.00446003,
0
],
[
0.00262169,
0,
-0.0000151
],
[
-0.00262169,
0,
0.0000151
],
[
-0.00225648,
0,
0.00610306
],
[
0.00225648,
0,
-0.00610306
],
[
0.00121164,
... | 0.000359 | 25.689379 | pbe | true | 358892392cfb6655f99500d765fa6f0c_12_Pr3Nd2Y8 |
[
"Nd",
"Sc",
"Sm"
] | 19 | A12B5C2 | Nd5Sc2Sm12 | Nd5 Sm12 Sc2 | 3 | [
1,
1,
1
] | 3 | [
[
6.7299541,
1e-8,
-2.16355722
],
[
-0.93573028,
8.20379365,
-2.91067718
],
[
0.06633001,
-0.26755871,
11.75518857
]
] | agm005648926 | [
[
4.616049037343054,
4.08568489979772,
2.8097900845689905
],
[
4.287463155538426,
0.679272564920555,
1.787691455014374
],
[
-0.46786514,
4.101896825,
-1.45533859
],
[
1.5730906744615734,
7.2569623850794445,
4.893262714985625
],
[
1.2445047926569457... | [{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Sm", "attached"... | [
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sc",
"Sc"
] | 2023-11-16 06:57:59 | [
0.2631578947368421,
0.10526315789473684,
0.631578947368421
] | [
[
0.62867516,
0.00674585,
0.00010766
],
[
0.00674586,
0.5975986,
0.02098375
],
[
0.00010766,
0.02098373,
0.6289753
]
] | -90.271765 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00035674,
-0.00188884,
0.00110966
],
[
0.0003875,
-0.00356153,
0.00120536
],
[
0,
0,
0
],
[
-0.0003875,
0.00356153,
-0.00120536
],
[
-0.00035674,
0.00188884,
-0.00110966
],
[
0.00038605,
-0.00249833,
0.00120084
],
[
... | 0.000181 | 29.44497 | pbe | true | 07989baca3847c4b26788452346312b6_12_Nd5Sm12Sc2 |
[
"Nd",
"Sm",
"Tm"
] | 15 | A8B6C | Nd6SmTm8 | Nd6 Sm1 Tm8 | 3 | [
1,
1,
1
] | 3 | [
[
9.0427608,
-0.00001099,
0
],
[
4.52138992,
7.83125508,
0
],
[
4.52138358,
2.6104147,
6.95744045
]
] | agm003699291 | [
[
12.158948341177666,
9.287631020533858,
6.029524529951365
],
[
2.5575143499848294,
2.121667276052845,
0.927915920048635
],
[
5.08005054950175,
4.5555491241271575,
0.927915920048635
],
[
13.00548375049825,
5.8861096658728425,
6.029524529951365
],
[
... | [{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Sm", "attached"... | [
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Sm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm"
] | 2023-11-16 06:57:59 | [
0.4,
0.06666666666666667,
0.5333333333333333
] | [
[
0.9513066,
1.5e-7,
0
],
[
-1.5e-7,
0.9513066,
0
],
[
0,
0,
0.89922756
]
] | -67.199623 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00378606,
0.00169296,
-0.00216603
],
[
-0.00335918,
-0.00243234,
0.00216603
],
[
-0.00042688,
0.0041253,
0.00216603
],
[
0.00042688,
-0.0041253,
-0.00216603
],
[
0.00335918,
0.00243234,
-0.00216603
],
[
0.00378606,
-0.00169... | -0.000005 | 21.700378 | pbe | true | 4d0f37146632b117d04d07237e107333_148_Nd6Sm1Tm8 |
[
"Nd",
"Tb",
"Tm"
] | 11 | A6B4C | Nd4TbTm6 | Tb1 Nd4 Tm6 | 3 | [
1,
1,
1
] | 3 | [
[
7.44618684,
-2.88935844,
-5.44932123
],
[
-5.14067604,
7.97482588,
1.86139576
],
[
-1.86251792,
2.88935844,
9.0372467
]
] | agm006052611 | [
[
0,
0,
0
],
[
-3.2904272107707833,
5.104500627293424,
1.3110270829771802
],
[
0.2682285692661012,
2.870322363348136,
1.9116388348730255
],
[
6.190169315065959,
-0.9408752585469797,
0.31500557863430945
],
[
-2.2819849135612764,
8.91570402790542... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Tm", "attached"... | [
"Tb",
"Nd",
"Nd",
"Nd",
"Nd",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm"
] | 2023-11-16 06:57:59 | [
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] | [
[
0.8114831,
-0.00110223,
-0.00110573
],
[
-0.00110223,
0.81248254,
0.00171533
],
[
-0.00110573,
0.00171533,
0.8124934
]
] | -47.242978 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
-0.00067726,
0.00105064,
0.00007702
],
[
-0.00021136,
-0.00105064,
-0.00064802
],
[
-0.00015555,
0.00024131,
0.00121903
],
[
0.00104417,
-0.00024131,
-0.00064802
],
[
0.00276006,
-0.00428173,
-0.00118131
],
... | 0.000001 | 13.467404 | pbe | true | 42b4a332003cf20e03b739c43631d771_121_Tb1Nd4Tm6 |
[
"Ni",
"Np",
"Sc"
] | 12 | A8B3C | Ni8NpSc3 | Np1 Sc3 Ni8 | 3 | [
1,
1,
1
] | 3 | [
[
4.71423142,
0,
1.42310672
],
[
2.14231566,
4.19934061,
1.42310672
],
[
0.00023034,
0.00014078,
8.51905512
]
] | agm005984987 | [
[
6.001064996919147,
3.675394465729891,
5.680122246994062
],
[
2.570827931361755,
1.5745214387104267,
8.523429047616206
],
[
0.011567595164822999,
0.007084363328556001,
8.481507531493644
],
[
3.423433160355354,
2.0967056330382667,
5.699058814512486
],
... | [{"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Np", "attached"... | [
"Np",
"Sc",
"Sc",
"Sc",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.08333333333333333,
0.25
] | [
[
-7.666181,
-0.03291613,
0.17803769
],
[
-0.03291613,
-7.6325965,
0.10904072
],
[
0.17803769,
0.10904072,
-8.202213
]
] | -82.979503 | [
3.524,
0.051,
0.085,
0.171,
-0.103,
-0.048,
-0.103,
-0.048,
-0.137,
-0.025,
-0.103,
-0.048
] | [
[
0.00009639,
0.00005904,
-0.00031931
],
[
-0.0007193,
-0.00044054,
0.00238279
],
[
0.00054437,
0.00033341,
-0.00180331
],
[
-0.00124203,
-0.00076069,
0.0041144
],
[
-0.00264496,
0.00047083,
0.00259232
],
[
0.00107062,
0.0010459... | 3.619697 | 17.87883 | pbe | true | e3a9bb2f2c711a9d4088f4fa3d4c7dd4_160_Np1Sc3Ni8 |
[
"Ni",
"Os",
"Ti"
] | 4 | A2BC | Ni2OsTi | Ti1 Ni2 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
3.7255718,
0,
0
],
[
0,
3.65625383,
0
],
[
0,
0,
3.65625383
]
] | agm002358276 | [
[
1.8627859,
0,
1.828126915
],
[
1.8627859,
1.828126915,
0
],
[
0,
1.828126915,
1.828126915
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Os", "attached"... | [
"Ni",
"Ni",
"Os",
"Ti"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
60.459442,
0,
0
],
[
0,
56.672035,
0
],
[
0,
0,
56.672035
]
] | -31.892541 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000004 | 5.029074 | pbe | true | de171587a0405a087656c0fdaf3a747a_123_Ti1Ni2Os1 |
[
"Ni",
"P",
"Pd"
] | 7 | A4B2C | Ni4PPd2 | Ni4 P1 Pd2 | 3 | [
1,
1,
1
] | 3 | [
[
4.13652997,
0,
0
],
[
0,
4.13652997,
0
],
[
2.06826498,
2.06826498,
6.10470709
]
] | agm001076923 | [
[
2.0682649817070122,
2.0682649817070122,
4.0205451939887
],
[
4.1365299682929875,
4.1365299682929875,
2.0841618960112993
],
[
0,
2.068264985,
0
],
[
2.068264985,
0,
0
],
[
2.068265004376816,
2.068265004376816,
1.5943465103972574
],
[
... | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "P", "attached":... | [
"Ni",
"Ni",
"Ni",
"Ni",
"Pd",
"Pd",
"P"
] | 2023-11-16 06:57:59 | [
0.5714285714285714,
0.14285714285714285,
0.2857142857142857
] | [
[
-6.8696384,
0,
0
],
[
0,
-6.8696384,
0
],
[
0,
0,
-7.099617
]
] | -36.848777 | [
0.321,
0.321,
0.056,
0.056,
0.093,
0.093,
0.002
] | [
[
0,
0,
0.00417784
],
[
0,
0,
-0.00417784
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00247846
],
[
0,
0,
0.00247846
],
[
0,
0,
0
]
] | 0.905248 | 9.607256 | pbe | true | 260d240fd9c4d75eccda67a4971e55df_139_Ni4P1Pd2 |
[
"Ni",
"Pa",
"Sn"
] | 10 | A3BC | Ni3PaSn | Pa2 Ni6 Sn2 | 3 | [
1,
1,
1
] | 3 | [
[
3.91950213,
0,
0
],
[
0,
3.44457046,
0
],
[
0,
-1.72228523,
12.3391873
]
] | agm003712297 | [
[
0.9798755325,
-0.0000017050623777273904,
1.9223534543946152
],
[
2.9396265975,
1.722286935062378,
10.416833845605385
],
[
0.9798755325,
-0.0000017395080821898647,
9.290668549405112
],
[
2.9396265975,
1.722286969508082,
3.0485187505948894
],
[
0.9... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ni", "attached"... | [
"Pa",
"Pa",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
-6.5987396,
0,
0
],
[
0,
-6.360885,
0
],
[
0,
0,
-6.5247693
]
] | -64.694262 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0.0017704
],
[
0,
0,
-0.0017704
],
[
0,
0,
-0.00379588
],
[
0,
0,
0.00379588
],
[
0,
0,
-0.00260772
],
[
0,
0,
0.00260772
],
[
0,
0,
-0.00296533
],
[
0,
0,
0.00296533
],
[
0,
... | -0 | 8.133289 | pbe | true | df5cbeb5a899ff2564e10c919e7f18cc_63_Pa2Ni6Sn2 |
[
"Ni",
"Pb",
"Tc"
] | 6 | A4BC | Ni4PbTc | Tc1 Ni4 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.43617355,
3.43617355
],
[
3.43617355,
0,
3.43617355
],
[
3.43617355,
3.43617355,
0
]
] | agm005472563 | [
[
0,
0,
0
],
[
2.5707772961172886,
2.5707772961172886,
4.30156980388271
],
[
2.570777296117289,
4.30156980388271,
2.5707772961172886
],
[
4.30156980388271,
4.30156980388271,
4.30156980388271
],
[
4.30156980388271,
2.570777296117289,
2.57077... | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ni", "attached"... | [
"Tc",
"Ni",
"Ni",
"Ni",
"Ni",
"Pb"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
[
-8.868402,
0,
0
],
[
0,
-8.868402,
0
],
[
0,
0,
-8.868402
]
] | -35.544869 | [
1.766,
0.533,
0.533,
0.533,
0.533,
-0.021
] | [
[
0,
0,
0
],
[
0.00001782,
0.00001782,
-0.00001782
],
[
0.00001782,
-0.00001782,
0.00001782
],
[
-0.00001782,
-0.00001782,
-0.00001782
],
[
-0.00001782,
0.00001782,
0.00001782
],
[
0,
0,
0
]
] | 3.851175 | 4.605653 | pbe | true | 2222ef4a0371500c4b37c31634a5d77e_216_Tc1Ni4Pb1 |
[
"Ni",
"Pm",
"Si"
] | 13 | A11BC | Ni11PmSi | Pm1 Si1 Ni11 | 3 | [
1,
1,
1
] | 3 | [
[
4.32616414,
-0.06056033,
1.80234701
],
[
2.04713996,
5.82937503,
0.85287031
],
[
-0.07347194,
-0.03027966,
6.26956093
]
] | agm005694001 | [
[
0,
0,
0
],
[
3.18665205,
2.8844073499999996,
1.32760866
],
[
1.6789754768392076,
1.3261601257774638,
2.1234437474800765
],
[
4.620856683160793,
4.412374914222536,
6.801334502519924
],
[
3.6833224293275784,
4.442654802501454,
2.95848578841... | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Si", "attached"... | [
"Pm",
"Si",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni"
] | 2023-11-16 06:57:59 | [
0.8461538461538461,
0.07692307692307693,
0.07692307692307693
] | [
[
-12.595164,
0.06698572,
-0.13461782
],
[
0.06699029,
-11.947546,
0.02790786
],
[
-0.13461782,
0.02790595,
-12.328122
]
] | -76.972713 | [
-0.042,
-0.006,
0.202,
0.202,
0.202,
0.202,
0.248,
0.248,
0.248,
0.248,
0.178,
0.354,
0.354
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00121043,
-0.00082764,
0.00144041
],
[
-0.00121043,
0.00082764,
-0.00144041
],
[
-0.00187508,
0.00082764,
0.00015494
],
[
0.00187508,
-0.00082764,
-0.00015494
],
[
0.0034753,
-0.0051... | 2.440768 | 20.692202 | pbe | true | 19bc55468fd437cb59fc8ef057931ea6_12_Pm1Si1Ni11 |
[
"O",
"Sc",
"Th"
] | 3 | ABC | OScTh | Th1 Sc1 O1 | 3 | [
1,
1,
1
] | 3 | [
[
3.38545079,
0,
0
],
[
-1.69272539,
2.93188638,
0
],
[
0,
0,
5.97191838
]
] | agm001277922 | [
[
-1.3593920710541858e-8,
1.9545909297729547,
3.263525297020749
],
[
1.6927254135939207,
0.9772954502270453,
2.2972196945292978
],
[
0,
0,
0.4111733884499532
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Sc", "attached": ... | [
"Sc",
"O",
"Th"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.579704,
0,
0
],
[
0,
0.579704,
0
],
[
0,
0,
0.48133257
]
] | -23.684644 | [
-0.001,
0,
0
] | [
[
0,
0,
-0.00020337
],
[
0,
0,
0.00414393
],
[
0,
0,
-0.00394056
]
] | -0.001704 | 4.046022 | pbe | true | 6e865e69f2e12ab56f670f9f55fd7a1e_156_Th1Sc1O1 |
[
"Ni",
"Rb",
"Sr"
] | 8 | A2BC | NiRbSr2 | Rb2 Sr4 Ni2 | 3 | [
1,
1,
1
] | 3 | [
[
8.834144,
0,
0
],
[
0,
8.834144,
0
],
[
4.417072,
4.417072,
6.25913574
]
] | agm002868973 | [
[
4.40218637901856,
2.208536,
1.564783935
],
[
4.43195762098144,
6.625608000000001,
1.564783935
],
[
6.625608,
8.84902962098144,
4.694351805
],
[
11.04268,
8.81925837901856,
4.694351805
],
[
0,
0,
0
],
[
8.834144,
4.417072,
... | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
"Sr",
"Sr",
"Sr",
"Rb",
"Rb",
"Ni",
"Ni"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
-0.5884088,
0,
0
],
[
0,
-0.5884088,
0
],
[
0,
0,
-0.52452075
]
] | -17.460134 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00253938,
0,
0
],
[
-0.00253938,
0,
0
],
[
0,
-0.00253938,
0
],
[
0,
0.00253938,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 8.011547 | pbe | true | 8f9c33c368642a81b5cbaba9149adcbb_122_Rb2Sr4Ni2 |
[
"Ni",
"Rh",
"Ta"
] | 10 | A7B2C | Ni7Rh2Ta | Ta1 Ni7 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
2.57564274,
-0.00000297,
-0.00000299
],
[
-0.00000402,
7.36314304,
-2.7264659
],
[
-0.00000404,
-1.18557321,
7.76154618
]
] | agm005854013 | [
[
0,
0,
0
],
[
2.5756387130200107,
4.367562958317419,
0.9486175904115788
],
[
-0.0000040330200104,
1.81000390168258,
4.0864596995884215
],
[
1.2877807484531225,
0.7017415862506907,
2.2456058707329785
],
[
1.2878539315468776,
5.475825273749308,
... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rh", "attached"... | [
"Ta",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.7,
0.2,
0.1
] | [
[
-7.283881,
0.00001482,
0.00001368
],
[
0.00001482,
-8.305507,
0.1429043
],
[
0.00001368,
0.1429043,
-8.363991
]
] | -64.013135 | [
-0.055,
0.324,
0.324,
0.279,
0.279,
0.279,
0.279,
0.197,
0.391,
0.391
] | [
[
0,
0,
0
],
[
0,
-0.00016082,
0.00019731
],
[
0,
0.00016082,
-0.00019731
],
[
0,
0.00086813,
0.0014767
],
[
0,
-0.00086813,
-0.0014767
],
[
0,
0.00162146,
0.00055246
],
[
0,
-0.00162146,
-0.00055246
],
[... | 2.587522 | 17.937548 | pbe | true | a7d15ed14cc5916bc8c8f17383963ef5_65_Ta1Ni7Rh2 |
[
"Ni",
"Rh",
"Ta"
] | 12 | A6B5C | Ni5Rh6Ta | Ta1 Ni5 Rh6 | 3 | [
1,
1,
1
] | 3 | [
[
4.50621962,
0.00228493,
-0.28742715
],
[
-0.00280078,
5.43392301,
-0.00083429
],
[
0.05733764,
0.00103305,
6.49824618
]
] | agm006136534 | [
[
3.0191608555424474,
2.718802180591146,
1.9256594033737704
],
[
1.5524902071401279,
0.0014817439160986,
4.231739618139433
],
[
-0.00140039,
2.716961505,
-0.000417145
],
[
3.008266272859873,
5.435759246083901,
1.9782451218605666
],
[
1.541595624457... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rh", "attached"... | [
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Ta"
] | 2023-11-16 06:57:59 | [
0.4166666666666667,
0.5,
0.08333333333333333
] | [
[
-4.8604307,
-0.00072616,
0.07495396
],
[
-0.00072616,
-3.4431365,
-0.00016851
],
[
0.07493656,
-0.00016852,
-4.7657447
]
] | -86.175316 | [
0.515,
0.287,
0.445,
0.287,
0.515,
0.249,
0.249,
0.251,
0.251,
0.249,
0.249,
-0.063
] | [
[
0.00246597,
1.4e-7,
-0.00737431
],
[
0.00547203,
0.00000151,
-0.00851461
],
[
0,
0,
0
],
[
-0.00547203,
-0.00000151,
0.00851461
],
[
-0.00246597,
-1.4e-7,
0.00737431
],
[
0.00133556,
0.00124571,
0.0000714
],
[
0.00... | 3.374834 | 20.868532 | pbe | true | 21b938799b639babb0cb7e742ea18434_10_Ta1Ni5Rh6 |
[
"Ni",
"Sb",
"Si"
] | 10 | A2B2C | Ni2SbSi2 | Si4 Ni4 Sb2 | 3 | [
1,
1,
1
] | 3 | [
[
7.25821298,
0,
0
],
[
0,
7.25821298,
0
],
[
0,
0,
2.77439364
]
] | agm003018257 | [
[
0,
0,
0
],
[
3.62910649,
3.62910649,
0
],
[
0.9786024282152918,
4.607708918215292,
1.38719682
],
[
4.607708918215292,
6.279610551784708,
1.38719682
],
[
6.279610551784708,
2.6505040617847078,
1.38719682
],
[
2.6505040617847078,
... | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Si", "attached"... | [
"Sb",
"Sb",
"Si",
"Si",
"Si",
"Si",
"Ni",
"Ni",
"Ni",
"Ni"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
-5.7777276,
0,
0
],
[
0,
-5.7777276,
0
],
[
0,
0,
-1.1195021
]
] | -53.024197 | [
0,
0,
0,
0,
0,
0,
-0.001,
0.001,
-0.002,
0.002
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00842401,
-0.00842401,
0
],
[
-0.00842401,
0.00842401,
0
],
[
0.00842401,
0.00842401,
0
],
[
0.00842401,
-0.00842401,
0
],
[
0.03065977,
0.03065977,
0
],
[
0.03065977,
... | 0 | 6.118676 | pbe | true | db4bd880b223c3806041df4b80cf0d52_127_Si4Ni4Sb2 |
[
"O",
"Sn",
"V"
] | 17 | A12B4C | O12SnV4 | V4 Sn1 O12 | 3 | [
1,
1,
1
] | 3 | [
[
6.91988515,
0.01139462,
-0.02740685
],
[
0.85399637,
6.86699574,
-0.02740685
],
[
1.57837684,
1.39656001,
5.62168288
]
] | agm003221226 | [
[
6.049822270847063,
4.255622785767005,
-0.024121007899289504
],
[
5.711493544319149,
6.120688438128715,
2.880635156239492
],
[
4.3915759430473225,
2.7883936398432367,
5.59099018789929
],
[
2.5815920294907486,
3.351327424271952,
2.6862340237605085
],
[... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "V", "attached": n... | [
"V",
"V",
"V",
"V",
"Sn",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.7058823529411765,
0.058823529411764705,
0.23529411764705882
] | [
[
1.0611838,
0.0932166,
-0.19905755
],
[
0.0932166,
1.0383102,
-0.17612766
],
[
-0.1990574,
-0.17612752,
1.4346455
]
] | -122.862966 | [
-0.006,
-0.001,
-0.006,
-0.001,
0,
0.013,
0.011,
0.001,
0.001,
0.011,
0.002,
0.001,
0.001,
0.002,
0.013,
0.001,
0.001
] | [
[
-0.00152574,
-0.00269612,
-0.0006458
],
[
-0.00134756,
-0.00254374,
0.00147895
],
[
0.00286186,
0.00118606,
0.0006458
],
[
0.00268891,
0.00102776,
-0.00147895
],
[
-0.00083484,
0.00094352,
0
],
[
-0.00161004,
-0.00047934,
... | 0.055981 | 0 | pbe | true | ef19e3318b1ad16c10c0052790c87006_5_V4Sn1O12 |
[
"Ni",
"Si",
"Tc"
] | 4 | A2BC | NiSi2Tc | Si2 Tc1 Ni1 | 3 | [
1,
1,
1
] | 3 | [
[
4.13171448,
0.00005413,
0.00003827
],
[
2.06590411,
3.57825089,
0
],
[
2.06590411,
1.1927503,
3.37360729
]
] | agm002186358 | [
[
2.0658799312998304,
1.192764259375492,
0.8434116936143232
],
[
4.131691301344239,
0.0000674883480987,
0.0000477157785613
],
[
4.1317826280886605,
2.3855153989448254,
1.6868141101247092
],
[
6.197636405932051,
3.578294734170384,
2.530236463974886
]
] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Si", "attached"... | [
"Ni",
"Si",
"Si",
"Tc"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
-8.598078,
-0.03728943,
-0.02636761
],
[
-0.03728943,
-8.641136,
0.01522335
],
[
-0.02636761,
0.01522335,
-8.6519
]
] | -28.044497 | [
0,
0,
0,
0
] | [
[
-0.00000131,
7.6e-7,
5.4e-7
],
[
-0.00011005,
0.00006354,
0.00004493
],
[
0.00010177,
-0.00005876,
-0.00004155
],
[
0.0000096,
-0.00000554,
-0.00000392
]
] | 0.000014 | 3.543229 | pbe | true | b6666e94a6551f98493c849022218c26_225_Si2Tc1Ni1 |
[
"Ni",
"Si",
"Tm"
] | 8 | A4B3C | NiSi3Tm4 | Tm4 Si3 Ni1 | 3 | [
1,
1,
1
] | 3 | [
[
4.13172396,
0,
0
],
[
0,
3.82684455,
0
],
[
0,
0,
10.44468662
]
] | agm003553228 | [
[
2.06586198,
1.913422275,
3.691329706733674
],
[
0,
1.913422275,
8.9977168143027
],
[
0,
0,
1.4290406655391397
],
[
2.06586198,
0,
6.717790353047304
],
[
0,
1.913422275,
6.01544795041889
],
[
0,
0,
4.471081233096359
],
... | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Si", "attached"... | [
"Tm",
"Tm",
"Tm",
"Tm",
"Si",
"Si",
"Si",
"Ni"
] | 2023-11-16 06:57:59 | [
0.125,
0.375,
0.5
] | [
[
-0.8906854,
0,
0
],
[
0,
-0.7972706,
0
],
[
0,
0,
-1.0496261
]
] | -45.785061 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0.00157026
],
[
0,
0,
-0.00127424
],
[
0,
0,
0.00139615
],
[
0,
0,
-0.00033366
],
[
0,
0,
-0.00165419
],
[
0,
0,
0.00153144
],
[
0,
0,
-0.00347605
],
[
0,
0,
0.00224028
]
] | 0.000255 | 5.905771 | pbe | true | 5a0f6f2172dfabb35c065c4cc958f9da_25_Tm4Si3Ni1 |
[
"Ni",
"Tb",
"Tm"
] | 20 | A3BC | NiTbTm3 | Tb4 Tm12 Ni4 | 3 | [
1,
1,
1
] | 3 | [
[
7.08382369,
0,
0
],
[
0,
7.84366713,
-0.12085142
],
[
0,
-2.73960432,
9.44346414
]
] | agm003719682 | [
[
6.796453860176586,
4.664219193724926,
2.36155373929495
],
[
0.2873698298234145,
0.4398436162750729,
6.96105898070505
],
[
3.2545420151765856,
1.809645776275073,
2.2393269107050497
],
[
3.829281674823415,
3.2944170337249266,
7.083285809294949
],
[
... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Tm", "attached"... | [
"Tb",
"Tb",
"Tb",
"Tb",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Ni",
"Ni",
"Ni",
"Ni"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
-1.3187584,
0,
0
],
[
0,
-1.2892699,
-0.01343117
],
[
0,
-0.01343087,
-1.2786952
]
] | -97.8393 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00055307,
-0.00096631,
0.00104049
],
[
0.00055307,
0.00096631,
-0.00104049
],
[
-0.00055307,
0.00096631,
-0.00104049
],
[
0.00055307,
-0.00096631,
0.00104049
],
[
-0.00008793,
0.00000281,
-0.00070888
],
[
0.00008793,
-0.000... | 0.000001 | 20.892902 | pbe | true | b5c830928c412fc26eccd009204a5795_14_Tb4Tm12Ni4 |
[
"Ni",
"Ti",
"Tm"
] | 6 | A4BC | Ni4TiTm | Tm1 Ti1 Ni4 | 3 | [
1,
1,
1
] | 3 | [
[
4.89147106,
0,
0
],
[
2.44573553,
4.2361382,
0
],
[
2.44573553,
1.41204607,
3.99386939
]
] | agm001186343 | [
[
4.891473481278174,
2.824090707589229,
0.5061308066156727
],
[
4.891473481278174,
1.4185482725963272,
2.4938679798587478
],
[
6.108708937468782,
3.5268619275741653,
2.4938679798587478
],
[
3.6742380250875666,
3.5268619275741653,
2.4938679798587478
],
... | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Ti", "attached"... | [
"Ni",
"Ni",
"Ni",
"Ni",
"Tm",
"Ti"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
[
-7.987334,
0,
0
],
[
0,
-7.987334,
0
],
[
0,
0,
-7.987334
]
] | -37.787624 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
-0.00011385
],
[
0,
-0.00010734,
0.00003795
],
[
0.00009296,
0.00005367,
0.00003795
],
[
-0.00009296,
0.00005367,
0.00003795
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000102 | 5.276837 | pbe | true | d8db581b9c0c32afcebcdacbca470e75_216_Tm1Ti1Ni4 |
[
"Ni",
"Ti",
"Zn"
] | 10 | A2B2C | Ni2Ti2Zn | Ti4 Zn2 Ni4 | 3 | [
1,
1,
1
] | 3 | [
[
2.98078967,
0,
0
],
[
0,
6.84553051,
-0.00000392
],
[
0,
-0.00000394,
6.84552735
]
] | agm002358571 | [
[
0,
0.8732103655682824,
2.549566326035505
],
[
0,
2.5495319124152007,
5.9722722916898965
],
[
0,
4.296015604914503,
0.8732401169990749
],
[
0,
5.972335440370953,
4.295959705253873
],
[
0,
0.000003795451879699998,
6.845523174223888
],
[... | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Ti", "attached"... | [
"Ni",
"Ni",
"Ni",
"Ni",
"Zn",
"Zn",
"Ti",
"Ti",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
-4.732581,
0,
0
],
[
0,
-4.8340816,
0.00406356
],
[
0,
0.00406522,
-4.8339562
]
] | -61.050475 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
-0.00152002,
0.00154118
],
[
0,
0.00300894,
0.00308825
],
[
0,
-0.00311699,
-0.00305821
],
[
0,
0.00162438,
-0.00159453
],
[
0,
0.00007212,
0.00002191
],
[
0,
-0.00005862,
0.00002062
],
[
0,
-0.00062019,
... | 0.000001 | 6.731209 | pbe | true | 20b0e6c7f285b6639b94713d4fd12817_127_Ti4Zn2Ni4 |
[
"Ni",
"Tl",
"Y"
] | 3 | ABC | NiTlY | Y1 Tl1 Ni1 | 3 | [
1,
1,
1
] | 3 | [
[
5.88895105,
-0.06874384,
0.07478931
],
[
4.912772,
3.2478292,
0.07294089
],
[
0.97602271,
0.28936647,
3.30397233
]
] | agm004232933 | [
[
1.0061005817305573,
0.2987136703313019,
3.294769725982788
],
[
7.308137922427442,
2.151388957427792,
1.2697307654293288
],
[
4.439529867584998,
1.3077156433437174,
2.1911744001503046
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Y", "attached":... | [
"Ni",
"Tl",
"Y"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
-2.6200314,
-0.05313123,
0.09478218
],
[
-0.05313137,
-2.429852,
-0.0199038
],
[
0.09478247,
-0.0199036,
-2.3392282
]
] | -15.102012 | [
0,
0,
0
] | [
[
0.00223628,
-0.00105086,
0.00047016
],
[
-0.00501022,
-0.00072207,
0.00118735
],
[
0.00277395,
0.00177292,
-0.00165751
]
] | 0.000004 | 2.392376 | pbe | true | af7214f42a4d33e7535907c6f4c91e8b_107_Y1Tl1Ni1 |
[
"Np",
"O",
"Rb"
] | 6 | A4BC | NpO4Rb | Rb1 Np1 O4 | 3 | [
1,
1,
1
] | 3 | [
[
3.63034678,
0,
0
],
[
0,
3.63034678,
0
],
[
0,
0,
6.75828023
]
] | agm003749091 | [
[
0,
0,
0
],
[
1.81517339,
1.81517339,
3.379140115
],
[
1.81517339,
0,
4.560547242401233
],
[
0,
1.81517339,
4.560547242401233
],
[
1.81517339,
0,
2.197732987598767
],
[
0,
1.81517339,
2.197732987598767
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Rb", "attached": ... | [
"Rb",
"Np",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.6666666666666666,
0.16666666666666666
] | [
[
0.68985987,
0,
0
],
[
0,
0.68985987,
0
],
[
0,
0,
1.2964798
]
] | -46.627693 | [
0,
-0.206,
0.026,
0.026,
0.026,
0.026
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00077717
],
[
0,
0,
0.00077717
],
[
0,
0,
-0.00077717
],
[
0,
0,
-0.00077717
]
] | -0.08635 | 1.598907 | pbe | true | b28e340da3b64669a9a1bc06f9da304d_123_Rb1Np1O4 |
[
"Np",
"O",
"Sr"
] | 16 | A5B2C | NpO5Sr2 | Sr4 Np2 O10 | 3 | [
1,
1,
1
] | 3 | [
[
4.4271275,
0,
0
],
[
-2.21356375,
6.06534145,
0
],
[
0,
0,
11.29720046
]
] | agm003472750 | [
[
2.213563772135638,
4.322461035336413,
4.815801227502047
],
[
2.213563772135638,
4.322461035336413,
0.8327990024979535
],
[
-2.2135637528856125e-8,
1.7428804146635875,
6.481399232497955
],
[
-2.2135637528856125e-8,
1.7428804146635875,
10.464401457502047
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Sr", "attached": ... | [
"Sr",
"Sr",
"Sr",
"Sr",
"Np",
"Np",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.125,
0.625,
0.25
] | [
[
0.6771034,
0,
0
],
[
0,
0.5767743,
0
],
[
0,
0,
0.58786917
]
] | -129.83997 | [
-0.002,
-0.002,
-0.002,
-0.002,
1.204,
1.204,
-0.043,
-0.043,
-0.035,
-0.035,
-0.043,
-0.043,
-0.035,
-0.035,
-0.043,
-0.043
] | [
[
0,
0.00095362,
0.00012955
],
[
0,
0.00095362,
-0.00012955
],
[
0,
-0.00095362,
-0.00012955
],
[
0,
-0.00095362,
0.00012955
],
[
0,
0.00511509,
0
],
[
0,
-0.00511509,
0
],
[
0,
-0.00438611,
-0.00240277
],
... | 2 | -0.431343 | pbe | true | 4a8ecb0bb44c7c5640b1f1f67c82e302_63_Sr4Np2O10 |
[
"Np",
"O",
"Tl"
] | 12 | A8B3C | Np3O8Tl | Np3 Tl1 O8 | 3 | [
1,
1,
1
] | 3 | [
[
6.08250235,
-0.00000106,
3.28339133
],
[
2.15504811,
5.68793407,
3.28339134
],
[
-0.35542421,
-0.24541608,
7.93405953
]
] | agm006003835 | [
[
1.077524055,
2.843967035,
1.64169567
],
[
3.041251175,
-5.3e-7,
1.641695665
],
[
4.118775230000001,
2.843966505,
3.283391335
],
[
3.9410631250000008,
2.721258465,
7.2504211000000005
],
[
5.609138825817787,
3.873045455254267,
11.4359259271... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Np", "attached": ... | [
"Np",
"Np",
"Np",
"Tl",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.25,
0.6666666666666666,
0.08333333333333333
] | [
[
0.5966278,
-0.00176976,
0.00474756
],
[
-0.00176976,
0.59796864,
0.00327815
],
[
0.00474756,
0.00327815,
0.59039587
]
] | -111.1403 | [
2.244,
2.244,
2.244,
0.002,
-0.086,
-0.086,
-0.104,
-0.104,
-0.104,
-0.104,
-0.104,
-0.104
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00065822,
-0.00045449,
0.00121936
],
[
0.00065822,
0.00045449,
-0.00121936
],
[
0.00324068,
0.00223765,
-0.00089479
],
[
0.00172751,
-0.001... | 5.999999 | 12.920548 | pbe | true | b3540be72b07626b4c859ba3e8c7148e_166_Np3Tl1O8 |
[
"Np",
"Pr",
"S"
] | 14 | A4B2C | NpPr2S4 | Pr4 Np2 S8 | 3 | [
1,
1,
1
] | 3 | [
[
3.95518956,
0,
0
],
[
-1.97759478,
6.77617301,
0
],
[
0,
0,
13.35012359
]
] | agm003450428 | [
[
1.9775947746386323e-8,
1.7860417949369778,
5.724124481610147
],
[
1.9775947602240522,
4.990131215063022,
12.399186276610147
],
[
1.9775947746386323e-8,
1.7860417949369778,
0.9509373133898541
],
[
1.9775947602240522,
4.990131215063022,
7.625999108389855
... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Np", "attached": ... | [
"Pr",
"Pr",
"Pr",
"Pr",
"Np",
"Np",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.2857142857142857,
0.5714285714285714
] | [
[
0.40157107,
0,
0
],
[
0,
0.19994204,
0
],
[
0,
0,
0.39967802
]
] | -102.590814 | [
0.032,
0.032,
0.032,
0.032,
4.05,
4.05,
-0.039,
-0.039,
-0.039,
-0.039,
-0.046,
-0.046,
-0.002,
-0.002
] | [
[
0,
-0.00028597,
0.00148423
],
[
0,
0.00028597,
0.00148423
],
[
0,
-0.00028597,
-0.00148423
],
[
0,
0.00028597,
-0.00148423
],
[
0,
0.00100971,
0
],
[
0,
-0.00100971,
0
],
[
0,
-0.00334599,
-0.00184831
],
... | 8.701164 | 19.548395 | pbe | true | 09cbdfa82b28989aabee5a3ccd9b51d2_63_Pr4Np2S8 |
[
"Np",
"Rh",
"Zr"
] | 12 | A4BC | NpRh4Zr | Zr2 Np2 Rh8 | 3 | [
1,
1,
1
] | 3 | [
[
3.97890511,
0,
-0.61797433
],
[
0,
3.99149572,
0
],
[
0.1066445,
0,
13.8049669
]
] | agm005788251 | [
[
2.2647704594484934,
0,
1.463681161715212
],
[
1.8207791505515065,
0,
11.723311408284788
],
[
3.2316815024884717,
1.99574786,
7.689257447059522
],
[
0.8538681075115278,
1.99574786,
5.497735122940477
],
[
2.5582198751421514,
1.99574786,
3.3... | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Np", "attached"... | [
"Zr",
"Zr",
"Np",
"Np",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.6666666666666666,
0.16666666666666666
] | [
[
9.8867,
0,
-0.08486838
],
[
0,
9.808993,
0
],
[
-0.08486838,
0,
9.353442
]
] | -104.98988 | [
0.068,
0.068,
2.95,
2.95,
-0.157,
-0.157,
-0.135,
-0.135,
-0.17,
-0.17,
0.008,
0.012
] | [
[
0.00090474,
0,
0.00582526
],
[
-0.00090474,
0,
-0.00582526
],
[
-0.00028785,
0,
-0.00185338
],
[
0.00028785,
0,
0.00185338
],
[
-0.00157287,
0,
-0.01012713
],
[
0.00157287,
0,
0.01012713
],
[
-0.00060767,
0,
... | 5.489225 | 21.696651 | pbe | true | 276aeb6d88a1187e7ed8aa2d7378324d_65_Zr2Np2Rh8 |
[
"Np",
"Sb",
"Si"
] | 4 | A2BC | NpSbSi2 | Np1 Si2 Sb1 | 3 | [
1,
1,
1
] | 3 | [
[
4.0996136,
0,
0
],
[
0,
4.34166418,
0
],
[
0,
0,
4.34166418
]
] | agm001247088 | [
[
2.0498068,
2.17083209,
2.17083209
],
[
2.0498068,
0,
0
],
[
0,
0,
2.17083209
],
[
0,
2.17083209,
0
]
] | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Si", "attached"... | [
"Np",
"Sb",
"Si",
"Si"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.9652715,
0,
0
],
[
0,
2.3915923,
0
],
[
0,
0,
2.3915923
]
] | -28.16668 | [
3.226,
-0.039,
-0.041,
-0.041
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.153914 | 9.07196 | pbe | true | be1dce85f14d8226c577d25a7d2078fd_123_Np1Si2Sb1 |
[
"O",
"Pa",
"Y"
] | 9 | A6B2C | O6PaY2 | Y2 Pa1 O6 | 3 | [
1,
1,
1
] | 3 | [
[
3.66830881,
0.00209931,
-1.18688661
],
[
-0.80272396,
4.76319181,
-2.47155369
],
[
0.10778931,
0.35112609,
6.59754587
]
] | agm005764629 | [
[
1.023621365017457,
1.816169836270233,
3.167870169651831
],
[
1.949752794982543,
3.3002473737297677,
-0.22876459965183082
],
[
0,
0,
0
],
[
3.0845921000640733,
0.637157115886806,
3.2743453283249044
],
[
0.2992170387961511,
2.0417865512532214,
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Y", "attached": n... | [
"Y",
"Y",
"Pa",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.1111111111111111,
0.2222222222222222
] | [
[
0.70225626,
-0.00711298,
0.00411763
],
[
-0.007113,
0.70095575,
-0.01863303
],
[
0.00411755,
-0.01863286,
0.71191025
]
] | -82.51572 | [
-0.006,
-0.006,
-0.001,
0.122,
0.121,
0.122,
0.073,
0.121,
0.073
] | [
[
-0.00052458,
0.0011727,
0.00061137
],
[
0.00052458,
-0.0011727,
-0.00061137
],
[
0,
0,
0
],
[
0.00070813,
-0.0001206,
-0.00154267
],
[
0.00069421,
0.00054977,
0.00091287
],
[
-0.00070813,
0.0001206,
0.00154267
],
[
... | 0.727309 | 9.254485 | pbe | true | 181983bb94f4a9088f0faca121851264_71_Y2Pa1O6 |
[
"O",
"Pb",
"Pu"
] | 20 | A7B2C | O7Pb2Pu | Pu2 Pb4 O14 | 3 | [
1,
1,
1
] | 3 | [
[
6.90102996,
0.00106366,
3.36628042
],
[
3.31849829,
5.05990137,
1.95462387
],
[
-0.44819898,
-1.77346034,
9.67914854
]
] | agm005843626 | [
[
6.569646694044507,
-0.06445701699842643,
10.711798133105198
],
[
3.201682575955492,
3.3519617069984267,
4.288254696894802
],
[
7.209571642685268,
3.6871951625666837,
9.940838169231002
],
[
6.9982705369719405,
2.043777728184488,
4.7198757383296055
],
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pu", "attached": ... | [
"Pu",
"Pu",
"Pb",
"Pb",
"Pb",
"Pb",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.7,
0.2,
0.1
] | [
[
0.7794621,
-0.00378171,
0.09109238
],
[
-0.00378133,
0.7794332,
0.0158734
],
[
0.09109234,
0.0158735,
0.63880485
]
] | -139.380502 | [
1.674,
1.674,
0.014,
0.014,
0.014,
0.014,
-0.076,
-0.076,
-0.087,
0.006,
-0.006,
-0.087,
0.006,
0.006,
-0.087,
-0.006,
0.006,
-0.087,
-0.076,
-0.076
] | [
[
0.00130077,
0.00078982,
-0.00405594
],
[
-0.00130077,
-0.00078982,
0.00405594
],
[
0.0005952,
-0.0012943,
-0.0010768
],
[
0.00045591,
-0.00109146,
-0.00090772
],
[
-0.00045591,
0.00109146,
0.00090772
],
[
-0.0005952,
0.0012943... | 2.724253 | 4.509061 | pbe | true | 653dfc2b13d2373c8ecea250319eabed_15_Pu2Pb4O14 |
[
"O",
"Pm",
"Se"
] | 18 | A4B3C2 | O3Pm4Se2 | Pm8 Se4 O6 | 3 | [
1,
1,
1
] | 3 | [
[
6.64554459,
0,
0
],
[
0,
6.90586261,
0
],
[
-3.3227723,
0,
7.42264465
]
] | agm003334064 | [
[
1.6613861429493315,
5.1793969575,
6.75559978135417
],
[
4.984158442050669,
1.7264656525,
0.6670448686458299
],
[
1.661386147050669,
1.7264656525,
0.6670448686458299
],
[
-1.661386152050669,
5.1793969575,
6.75559978135417
],
[
-2.1141519060469587e... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pm", "attached": ... | [
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Se",
"Se",
"Se",
"Se",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.4444444444444444,
0.2222222222222222
] | [
[
0.53627026,
0,
0
],
[
0,
0.4736167,
0
],
[
0,
0,
0.4860308
]
] | -125.239804 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0.0007819
],
[
0,
0,
-0.0007819
],
[
0,
0,
-0.0007819
],
[
0,
0,
0.0007819
],
[
0,
-0.0026458,
-0.00005189
],
[
0,
0.0026458,
0.00005189
],
[
0,
-0.0026458,
0.00005189
],
[
0,
0.0026458,
... | -0.000174 | 6.264554 | pbe | true | f5fcc26677f5274cfcd4281a56099823_64_Pm8Se4O6 |
[
"O",
"Pu",
"Rb"
] | 12 | A3B2C | O3PuRb2 | Rb4 Pu2 O6 | 3 | [
1,
1,
1
] | 3 | [
[
6.41922772,
0,
0
],
[
0,
6.71445672,
-0.00926333
],
[
0,
-2.67822139,
6.15720279
]
] | agm002231772 | [
[
3.1773307934887938,
-1.423331225059101,
5.53152767622867
],
[
6.386944781873348,
-1.6051757218014515,
5.254544682788712
],
[
4.209637808011881,
2.6134916656633567,
3.9808353113390575
],
[
1.000023948011881,
1.4227436643366438,
2.1671041486609433
],
[... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Pu", "attached": ... | [
"O",
"O",
"O",
"O",
"O",
"O",
"Rb",
"Rb",
"Rb",
"Rb",
"Pu",
"Pu"
] | 2023-11-16 06:57:59 | [
0.5,
0.16666666666666666,
0.3333333333333333
] | [
[
1.0903572,
0,
0
],
[
0,
0.48013845,
-0.27750304
],
[
0,
-0.27750307,
0.23962617
]
] | -88.16528 | [
-0.125,
-0.125,
-0.1,
-0.1,
-0.125,
-0.125,
0.006,
0.006,
0.006,
0.006,
4.161,
4.163
] | [
[
0.01264938,
0.00957518,
0.00493243
],
[
0.01264936,
-0.00071857,
-0.01074746
],
[
0.00187701,
0.01301881,
0.01983337
],
[
0.00187701,
-0.01301881,
-0.01983337
],
[
0.01264938,
-0.00957518,
-0.00493243
],
[
0.01264936,
0.000718... | 8 | 8.313954 | pbe | true | 8a3bb4fd04625930e4c95297536c6e23_36_Rb4Pu2O6 |
[
"O",
"S",
"Zn"
] | 4 | A2BC | OSZn2 | O1 S1 Zn2 | 3 | [
1,
1,
1
] | 3 | [
[
3.557285564,
0,
0
],
[
-1.778642782,
3.080699667,
0
],
[
0,
0,
5.788589832
]
] | oqmd-6010740 | [
[
-1.3270435419438386e-16,
2.0538,
5.07779
],
[
0,
0,
2.14571
],
[
-1.3270435419438386e-16,
2.0538,
3.0963900000000004
],
[
0,
0,
5.599220000000001
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Zn", "attached": nu... | [
"O",
"S",
"Zn",
"Zn"
] | 2024-11-01 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
16.10148364,
0,
0
],
[
0,
16.10148364,
0
],
[
0,
0,
19.10758234
]
] | -15.5861 | [
0,
0,
0,
0
] | [
[
0,
0,
0.031896
],
[
0,
0,
-0.05619
],
[
0,
0,
-0.005929
],
[
0,
0,
0.030223
]
] | null | null | pbe | true | 7ac575d6d047f40ce6a3923515517212_156_Zn2S1O1 |
[
"O",
"Sn",
"Ti"
] | 9 | A6B2C | OSn2Ti6 | Ti6 Sn2 O1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
4.18076632,
4.18076632
],
[
4.18076632,
0,
4.18076632
],
[
4.18076632,
4.18076632,
0
]
] | agm005776221 | [
[
2.030807156324674,
4.18076632,
4.18076632
],
[
4.18076632,
4.18076632,
2.030807156324674
],
[
4.18076632,
4.18076632,
6.330725483675327
],
[
4.18076632,
2.030807156324674,
4.18076632
],
[
4.18076632,
6.330725483675327,
4.18076632
],
[... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ti", "attached": ... | [
"Ti",
"Ti",
"Ti",
"Ti",
"Ti",
"Ti",
"Sn",
"Sn",
"O"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
0.2222222222222222,
0.6666666666666666
] | [
[
0.10429443,
0,
0
],
[
0,
0.10429443,
0
],
[
0,
0,
0.10429443
]
] | -67.551833 | [
0.001,
0.001,
0.001,
0.001,
0.001,
0.001,
0,
0,
0
] | [
[
0.00121957,
0,
0
],
[
0,
0,
0.00121957
],
[
0,
0,
-0.00121957
],
[
0,
0.00121957,
0
],
[
0,
-0.00121957,
0
],
[
-0.00121957,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.009594 | 11.14393 | pbe | true | 59a96b8187634fba6c1ba920cea1194a_225_Ti6Sn2O1 |
[
"O",
"Sn",
"Zn"
] | 13 | A8B4C | O8Sn4Zn | Zn1 Sn4 O8 | 3 | [
1,
1,
1
] | 3 | [
[
1.61026219,
7.7408132,
0.27727449
],
[
-1.61026219,
7.7408132,
0.27727449
],
[
0,
7.44420971,
8.02072216
]
] | agm005269346 | [
[
-6.243797274944995e-18,
7.734615454900538,
0.5296306811357607
],
[
7.488051751350895e-17,
13.906734397846222,
4.738513618543977
],
[
5.7868685037803405e-18,
3.9212159324458105,
1.8286705920379687
],
[
-8.247245215538896e-17,
19.015133277910962,
7.2615060... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Zn", "attached": ... | [
"Zn",
"Sn",
"Sn",
"Sn",
"Sn",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.6153846153846154,
0.3076923076923077,
0.07692307692307693
] | [
[
0.5232876,
0,
0
],
[
0,
0.47755384,
0.16682777
],
[
0,
0.16682756,
0.60580015
]
] | -74.992218 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.00769421,
0.0034165
],
[
0,
-0.00082858,
0.0006806
],
[
0,
-0.00070074,
0.00012565
],
[
0,
-0.00116188,
0.0006487
],
[
0,
-0.00147246,
-0.00375924
],
[
0,
0.00020379,
0.00309872
],
[
0,
-0.00063381,
-0... | 0 | 0.64928 | pbe | true | 56eb3b6476b016e047bc738edb20d18b_8_Zn1Sn4O8 |
[
"O",
"Sr",
"Te"
] | 4 | A2BC | OSr2Te | Sr2 Te1 O1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.7472679,
3.7472679
],
[
3.7472679,
0,
3.7472679
],
[
3.7472679,
3.7472679,
0
]
] | agm002719640 | [
[
1.87363395,
1.87363395,
1.87363395
],
[
5.62090185,
5.62090185,
5.62090185
],
[
3.7472679,
3.7472679,
3.7472679
],
[
0,
0,
0
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Sr", "attached": ... | [
"Sr",
"Sr",
"Te",
"O"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.5006795,
0,
0
],
[
0,
0.5006795,
0
],
[
0,
0,
0.5006795
]
] | -17.251228 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 0 | pbe | true | e4d25f577ef278d9301ecb046048b840_225_Sr2Te1O1 |
[
"O",
"Sr",
"Tm"
] | 28 | A4B2C | O4SrTm2 | O16 Sr4 Tm8 | 3 | [
1,
1,
1
] | 3 | [
[
3.37303017,
0,
0
],
[
0,
10.0719144,
0
],
[
0,
0,
11.85069724
]
] | mp-3446 | [
[
0.8432575425,
0.7559248734846,
0.9026657126592417
],
[
2.5297726275,
9.3159895265154,
10.948031527340758
],
[
0.8432575425,
5.791882073484601,
5.022682907340759
],
[
2.5297726275,
4.2800323265154,
6.828014332659243
],
[
0.8432575425,
9.894720... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Tm", "attached": ... | [
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"Sr",
"Sr",
"Sr",
"Sr",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm"
] | 2011-05-19 04:26:04 | [
0.5714285714285714,
0.14285714285714285,
0.2857142857142857
] | [
[
0.02546714,
0,
0
],
[
0,
0.05694059,
0
],
[
0,
0,
0.02807475
]
] | -217.352183 | [] | [
[
0,
0.00065836,
-0.00072085
],
[
0,
-0.00065836,
0.00072085
],
[
0,
0.00065836,
0.00072085
],
[
0,
-0.00065836,
-0.00072085
],
[
0,
-0.00412921,
0.00089408
],
[
0,
0.00412921,
-0.00089408
],
[
0,
-0.00412921,
... | null | 1.905764 | pbe | true | 542af8fae31dc7a70b41a1664a404104_62_Sr4Tm8O16 |
[
"O",
"Sr",
"Zr"
] | 20 | A3BC | O3SrZr | Sr4 Zr4 O12 | 3 | [
1,
1,
1
] | 3 | [
[
5.93645411,
0,
0
],
[
0,
10.01562322,
0
],
[
0,
0,
5.75196425
]
] | agm003129290 | [
[
0,
0,
2.875982125
],
[
2.968227055,
5.00781161,
0
],
[
2.968227055,
0,
0
],
[
0,
5.00781161,
2.875982125
],
[
0.8871521319632361,
9.027381576726368,
4.94105440074213
],
[
2.0810749230367636,
4.019569966726368,
2.0650722757... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Sr", "attached": ... | [
"Sr",
"Sr",
"Sr",
"Sr",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"Zr",
"Zr",
"Zr",
"Zr"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
0.6986237,
0,
0
],
[
0,
0.5506214,
0
],
[
0,
0,
0.6898079
]
] | -160.089816 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00130416,
-0.00316312,
-0.00079839
],
[
-0.00130416,
-0.00316312,
-0.00079839
],
[
-0.00130416,
0.00316312,
-0.00079839
],
[
-0.00130416,
-0... | 0 | 0 | pbe | true | 118548a3f8196773d86985cb2b9466e5_62_Sr4Zr4O12 |
[
"O",
"Sr",
"Zr"
] | 20 | A3BC | O3SrZr | Sr4 Zr4 O12 | 3 | [
1,
1,
1
] | 3 | [
[
18.52968528,
0,
-1.53962232
],
[
0,
5.75798854,
0
],
[
-6.56552649,
0,
3.26596899
]
] | agm003129276 | [
[
4.837654813156796,
4.299799707441681,
0.7054473970613583
],
[
7.126503976843203,
1.458188832558319,
1.0208992729386417
],
[
1.1444245818432044,
1.4208054374416814,
0.1577259379386417
],
[
10.819734208156794,
4.337183102558319,
1.5686207320613585
],
[... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Sr", "attached": ... | [
"Sr",
"Sr",
"Sr",
"Sr",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"Zr",
"Zr",
"Zr",
"Zr"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
0.22917704,
0,
0.00204672
],
[
0,
1.0774757,
0
],
[
0.00204617,
0,
0.48961276
]
] | -162.065437 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.0036734,
-0.00060008,
0.0016597
],
[
-0.0036734,
0.00060008,
-0.0016597
],
[
-0.0036734,
-0.00060008,
-0.0016597
],
[
0.0036734,
0.00060008,
0.0016597
],
[
-0.00579889,
0.01195722,
0.00181488
],
[
0.00579889,
-0.01195722,
... | 0 | 0 | pbe | true | 1afeb0aa51d161885b25776e8ff2b9db_14_Sr4Zr4O12 |
[
"O",
"Te",
"Tl"
] | 8 | A2BC | O2TeTl | Tl2 Te2 O4 | 3 | [
1,
1,
1
] | 3 | [
[
6.32642549,
-1.7252144,
1.08984077
],
[
-1.65824858,
6.12311671,
0.08124163
],
[
1.08206835,
0.10267945,
6.44539604
]
] | agm003619736 | [
[
1.0613151953440747,
3.809433668199483,
4.26034126334534
],
[
5.229298046742361,
-0.01888766311914518,
3.2222755566106054
],
[
3.6269909968591763,
1.1532523206617864,
6.4377719391812604
],
[
6.640155682550281,
-1.0309149278355418,
6.49430769043844
],
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Te", "attached": ... | [
"Tl",
"Tl",
"Te",
"Te",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
0.43265265,
-0.11855848,
0.05772456
],
[
-0.11855844,
0.6246823,
-0.19450454
],
[
0.05772455,
-0.19450462,
0.5374497
]
] | -36.970892 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.0028055,
0.00057816,
0.00024905
],
[
-0.00177026,
-0.00034464,
-0.00093824
],
[
0.00364631,
0.00175779,
0.0013313
],
[
0.00214036,
-0.00003529,
-0.00082538
],
[
0.00075341,
-0.00220277,
-0.00136725
],
[
0.00020116,
-0.003605... | 0 | -0.000116 | pbe | true | 46c97d499df4c54aab4c97b19be64b30_1_Tl2Te2O4 |
[
"O",
"Tl",
"Zr"
] | 9 | A5B2C2 | O5Tl2Zr2 | O5 Tl2 Zr2 | 3 | [
1,
1,
1
] | 3 | [
[
9.175768,
0,
0
],
[
0,
3.646028,
0
],
[
0,
0,
3.646028
]
] | oqmd-2055520 | [
[
3.1043299999999983,
1.8230100000000005,
0
],
[
6.071439999999999,
1.8230100000000005,
0
],
[
3.1043299999999983,
0,
1.8230100000000005
],
[
6.071439999999999,
0,
1.8230100000000005
],
[
4.587879999999996,
1.8230100000000005,
1.82301000000... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Zr", "attached": ... | [
"O",
"O",
"O",
"O",
"O",
"Tl",
"Tl",
"Zr",
"Zr"
] | 2024-11-01 00:00:00 | [
0.5555555555555556,
0.2222222222222222,
0.2222222222222222
] | [
[
44.99781,
0,
0
],
[
0,
39.27285,
0
],
[
0,
0,
39.27285
]
] | -53.1665 | [
0.01,
0.01,
0.009,
0.009,
0.026,
0,
0,
-0.008,
-0.002
] | [
[
0.056292,
0,
0
],
[
-0.056292,
0,
0
],
[
0.056292,
0,
0
],
[
-0.056292,
0,
0
],
[
0,
0,
0
],
[
0.033225,
0,
0
],
[
-0.033225,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.045012 | null | pbe | true | 61b5728231730cf2f80b4397dee13928_123_Zr2Tl2O5 |
[
"Os",
"Pt",
"Ta"
] | 8 | A2BC | OsPt2Ta | Ta2 Os2 Pt4 | 3 | [
1,
1,
1
] | 3 | [
[
3.81470314,
0,
0
],
[
0,
3.81470314,
0
],
[
1.90735157,
1.90735157,
9.36961699
]
] | agm002895776 | [
[
0,
0,
0
],
[
3.81470314,
1.90735157,
4.684808495
],
[
2.8915968982297353,
0.953675785,
2.3424042475
],
[
0.9231062417702647,
2.861027355,
2.3424042475
],
[
2.861027355,
2.830457811770265,
7.027212742500001
],
[
4.768378925,
4.... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Pt", "attached"... | [
"Os",
"Os",
"Pt",
"Pt",
"Pt",
"Pt",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
9.387385,
0,
0
],
[
0,
9.387385,
0
],
[
0,
0,
6.4158573
]
] | -69.97019 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.01947808,
0,
0
],
[
0.01947808,
0,
0
],
[
0,
0.01947808,
0
],
[
0,
-0.01947808,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 6.81057 | pbe | true | b95acc9d8ccd9c8be12161b0c71b0898_122_Ta2Os2Pt4 |
[
"Os",
"Sn",
"Th"
] | 6 | ABC | OsSnTh | Th2 Sn2 Os2 | 3 | [
1,
1,
1
] | 3 | [
[
3.44453635,
0,
0
],
[
0,
3.44453635,
0
],
[
-1.72226817,
-1.72226817,
12.7724655
]
] | agm001023735 | [
[
1.9893483915037282e-8,
1.9893483915037282e-8,
6.822545919089475
],
[
1.7222681601065157,
1.7222681601065157,
5.9499195809105245
],
[
-1.572911291484467e-8,
-1.572911291484467e-8,
3.8153113216999346
],
[
1.7222681957291128,
1.7222681957291128,
8.957154178... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Sn", "attached"... | [
"Os",
"Os",
"Th",
"Th",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
4.7782435,
0,
0
],
[
0,
4.7782435,
0
],
[
0,
0,
4.5785327
]
] | -45.156138 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0.0144796
],
[
0,
0,
-0.0144796
],
[
0,
0,
-0.00218853
],
[
0,
0,
0.00218853
],
[
0,
0,
0.00058139
],
[
0,
0,
-0.00058139
]
] | -0.000006 | 5.765665 | pbe | true | 691741d489e0521f22427bbbc513f5be_139_Th2Sn2Os2 |
[
"Os",
"Sn",
"Tb"
] | 18 | A6B2C | Os2SnTb6 | Tb12 Sn2 Os4 | 3 | [
1,
1,
1
] | 3 | [
[
8.00278496,
-0.09676097,
-2.98961095
],
[
-4.25744039,
7.0394455,
-2.30480218
],
[
-0.15454163,
0.09676095,
8.5415732
]
] | agm005801422 | [
[
1.0889849438607002,
5.081106490131751,
3.7180985033818024
],
[
2.501817996139299,
1.9583389898682488,
-0.47093843338180147
],
[
-0.5434437118344775,
2.0550999472347895,
6.025697055923204
],
[
4.134246651834477,
4.984345532765211,
-2.7785369859232025
],... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Os", "attached"... | [
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Sn",
"Sn",
"Os",
"Os",
"Os",
"Os"
] | 2023-11-16 06:57:59 | [
0.2222222222222222,
0.1111111111111111,
0.6666666666666666
] | [
[
2.377441,
-0.0230091,
-0.11307442
],
[
-0.0230091,
2.5318475,
0.03252566
],
[
-0.11307442,
0.03252566,
2.4572928
]
] | -115.075387 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00317748,
-0.00312104,
0.00132335
],
[
0.00317748,
0.00312104,
-0.00132335
],
[
0.00018991,
0.00312104,
-0.0034368
],
[
-0.00018991,
-0.00312104,
0.0034368
],
[
0.00330717,
-0.00181269,
-0.00003747
],
[
-0.00330717,
0.00181... | -0.000022 | 17.156061 | pbe | true | ca24a894360a1d0d3034a46f978f9d23_71_Tb12Sn2Os4 |
[
"Os",
"Te",
"Tm"
] | 18 | A5B2C2 | Os2Te2Tm5 | Tm10 Te4 Os4 | 3 | [
1,
1,
1
] | 3 | [
[
7.18105469,
0,
2.60667874
],
[
0,
7.59546156,
0
],
[
0.90054737,
0,
8.71387651
]
] | agm005564408 | [
[
0,
0,
0
],
[
3.590527345,
3.79773078,
1.30333937
],
[
3.880753951808745,
1.3013829137141797,
7.817445242892527
],
[
6.3703603370446125,
6.294078646285821,
8.72115706734078
],
[
2.779832992044613,
5.099113693714179,
7.417817697340781
],
... | [{"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Os", "attached"... | [
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Te",
"Te",
"Te",
"Te",
"Os",
"Os",
"Os",
"Os"
] | 2023-11-16 06:57:59 | [
0.2222222222222222,
0.2222222222222222,
0.5555555555555556
] | [
[
2.0438128,
0,
0.07946363
],
[
0,
2.129425,
0
],
[
0.07946363,
0,
1.8537455
]
] | -116.154331 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00212648,
0.00056274,
-0.00575196
],
[
0.00205835,
-0.00056274,
-0.00577669
],
[
0.00205835,
0.00056274,
-0.00577669
],
[
0.00212648,
-0.00056274,
-0.00575196
],
[
-0.00212648,
-0.00... | -0.000001 | 6.24179 | pbe | true | a6b508e018f09071899adea4bc0727be_64_Tm10Te4Os4 |
[
"P",
"Pb",
"Si"
] | 3 | ABC | PPbSi | Si1 P1 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
3.47447878,
0,
0
],
[
-1.73723939,
3.00898689,
0
],
[
0,
0,
6.57464628
]
] | agm004256212 | [
[
0,
0,
4.948535333765683
],
[
1.737239407372394,
1.0029956199700436,
2.14879940177501
],
[
-1.7372393974309575e-8,
2.0059912700299565,
6.0519577587128435
]
] | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "P", "attached":... | [
"P",
"Pb",
"Si"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
3.3174896,
0,
0
],
[
0,
3.3174896,
0
],
[
0,
0,
3.3678334
]
] | -14.317195 | [
0,
0,
0
] | [
[
0,
0,
0.00601452
],
[
0,
0,
-0.00190544
],
[
0,
0,
-0.00410907
]
] | 0 | 0.531862 | pbe | true | be213d8faa697902420fe452467833c7_156_Si1P1Pb1 |
[
"P",
"Re",
"Si"
] | 14 | A4B2C | P4Re2Si | Re4 Si2 P8 | 3 | [
1,
1,
1
] | 3 | [
[
8.35132857,
0,
0
],
[
0,
8.35132857,
0
],
[
0,
0,
3.12838071
]
] | agm005517129 | [
[
1.4810282831883705,
6.870300286811629,
0
],
[
6.870300286811629,
1.4810282831883705,
0
],
[
5.656692568188371,
5.656692568188371,
1.564190355
],
[
2.694636001811629,
2.694636001811629,
1.564190355
],
[
0,
0,
1.564190355
],
[
4.175... | [{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "P", "attached":... | [
"Re",
"Re",
"Re",
"Re",
"Si",
"Si",
"P",
"P",
"P",
"P",
"P",
"P",
"P",
"P"
] | 2023-11-16 06:57:59 | [
0.5714285714285714,
0.2857142857142857,
0.14285714285714285
] | [
[
3.0151312,
0,
0
],
[
0,
3.0151312,
0
],
[
0,
0,
3.175791
]
] | -103.173494 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00116047,
-0.00116047,
0
],
[
-0.00116047,
0.00116047,
0
],
[
0.00116047,
0.00116047,
0
],
[
-0.00116047,
-0.00116047,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00253121,
-0.00595605,
0
],
[
-0.00253121,... | 0.000096 | 6.374658 | pbe | true | 16da51d18638c84db6bbeb086ade02c0_136_Re4Si2P8 |
[
"Pa",
"Pu",
"Re"
] | 12 | A9B2C | PaPu2Re9 | Pu2 Pa1 Re9 | 3 | [
1,
1,
1
] | 3 | [
[
5.04742676,
-4e-8,
1.50219768
],
[
2.30017577,
4.49285169,
1.50219768
],
[
-0.11635994,
-0.07115057,
9.62189683
]
] | agm005946106 | [
[
6.229808078008785,
3.809351987941873,
6.7602582969134355
],
[
1.0014345119912138,
0.6123490920581269,
5.866033893086565
],
[
0,
0,
0
],
[
4.888647168012355,
2.989269821331648,
2.035705983404591
],
[
2.3425954219876446,
1.432431258668352,
... | [{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Pu", "attached"... | [
"Pu",
"Pu",
"Pa",
"Re",
"Re",
"Re",
"Re",
"Re",
"Re",
"Re",
"Re",
"Re"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
0.16666666666666666,
0.75
] | [
[
11.161992,
0.00577129,
-0.03171587
],
[
0.00577129,
11.156087,
-0.01939307
],
[
-0.03171587,
-0.01939307,
11.259217
]
] | -149.11685 | [
4.745,
4.745,
-0.452,
-0.14,
-0.14,
-0.29,
-0.035,
-0.035,
-0.035,
-0.035,
-0.035,
-0.035
] | [
[
0.00117747,
0.00071999,
-0.00395637
],
[
-0.00117747,
-0.00071999,
0.00395637
],
[
0,
0,
0
],
[
0.00296795,
0.00181482,
-0.00997249
],
[
-0.00296795,
-0.00181482,
0.00997249
],
[
0,
0,
0
],
[
0.00087,
0.0005319... | 8.545013 | 24.54367 | pbe | true | 40c67e208ea130bb6d5a4db61be2a41c_166_Pu2Pa1Re9 |
[
"Pa",
"Sb",
"Tb"
] | 16 | A8B5C3 | Pa3Sb8Tb5 | Tb5 Pa3 Sb8 | 3 | [
1,
1,
1
] | 3 | [
[
7.60792347,
0,
4.35784872
],
[
2.55586426,
7.16575501,
4.35784872
],
[
0.01628655,
0.0114822,
8.79143813
]
] | agm005719456 | [
[
3.803961735,
0,
2.17892436
],
[
5.081893865,
3.582877505,
4.35784872
],
[
0,
0,
0
],
[
1.27793213,
3.582877505,
2.17892436
],
[
5.09003714,
3.5886186049999997,
8.753567785
],
[
3.8121050100000002,
0.0057411,
6.574643425
... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Sb", "attached"... | [
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Pa",
"Pa",
"Pa",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb"
] | 2023-11-16 06:57:59 | [
0.1875,
0.5,
0.3125
] | [
[
0.6206537,
-0.00934627,
0.02314321
],
[
-0.00934627,
0.62732077,
0.0163166
],
[
0.02314321,
0.0163166,
0.5935067
]
] | -98.618626 | [
0.016,
0.016,
0.01,
0.016,
0.012,
0.823,
0.823,
0.823,
-0.013,
-0.013,
-0.013,
-0.017,
-0.013,
-0.013,
-0.013,
-0.017
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00034903,
0.00024607,
-0.00119357
],
[
0.00051833,
0.000... | 2.937058 | 19.724789 | pbe | true | 07a500ba18fcabbe106c0779ab98dcfd_166_Tb5Pa3Sb8 |