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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Ce",
"Ir",
"P"
] | 6 | ABC | CeIrP | Ce2 P2 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
4.13952754,
0,
0
],
[
-2.06976377,
3.58493601,
0
],
[
0,
0,
7.77969263
]
] | agm003277679 | [
[
-0.0000020697637700469355,
2.38995853497867,
1.9449231575
],
[
2.06976583976377,
1.19497747502133,
5.8347694725000006
],
[
-0.0000020697637700469355,
2.38995853497867,
5.8347694725000006
],
[
2.06976583976377,
1.19497747502133,
1.9449231575
],
[
... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "P", "attached":... | [
"P",
"P",
"Ir",
"Ir",
"Ce",
"Ce"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
2.0430627,
0,
0
],
[
0,
2.0430627,
0
],
[
0,
0,
2.169262
]
] | -47.601104 | [
-0.001,
-0.001,
-0.004,
-0.004,
0.027,
0.027
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.052109 | 3.389991 | pbe | true | 3dba095c03a51f35befd695642ffb0f1_194_Ce2P2Ir2 |
[
"Ce",
"Ir",
"Pr"
] | 16 | A2BC | CeIrPr2 | Ce4 Pr8 Ir4 | 3 | [
1,
1,
1
] | 3 | [
[
6.60984579,
0.00000101,
0
],
[
0.00000111,
7.23384806,
0
],
[
0,
0,
9.99119885
]
] | agm005799489 | [
[
4.363104350887472,
3.9200597506931514,
2.4977997125
],
[
5.551664982141827,
0.3031359023080993,
2.4977997125
],
[
2.246742549112528,
3.3137893193068484,
7.4933991375
],
[
1.0581819178581717,
6.9307131676919,
7.4933991375
],
[
1.1180542506721192,
... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ir", "attached"... | [
"Ce",
"Ce",
"Ce",
"Ce",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Ir",
"Ir",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.2840096,
3.3e-7,
0
],
[
3.3e-7,
0.8907223,
0
],
[
0,
0,
0.91746277
]
] | -104.075623 | [
0.495,
0.495,
0.495,
0.495,
0.04,
0.04,
0.04,
0.04,
0.04,
0.04,
0.04,
0.04,
-0.023,
-0.023,
-0.023,
-0.023
] | [
[
0.00072895,
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0
],
[
-0.00072895,
-0.00090855,
0
],
[
-0.00072895,
0.00090855,
0
],
[
0.00072895,
0.00090855,
0
],
[
-0.00112348,
-0.00252489,
-0.00093732
],
[
0.00112348,
-0.00252489,
0.00093732
],
[
0.... | 3.02977 | 32.444546 | pbe | true | 88efc799f4cfb205a34d9201adc513b9_62_Ce4Pr8Ir4 |
[
"Ce",
"Ir",
"Zn"
] | 5 | A2B2C | Ce2Ir2Zn | Ce2 Zn1 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
4.47578442,
-0.00161849,
-0.00122968
],
[
2.23763288,
4.88593898,
0.04489672
],
[
2.23764513,
1.37962304,
4.68734244
]
] | agm002324619 | [
[
0,
0,
0
],
[
4.475534449938018,
2.2572786094459163,
3.523619417128371
],
[
4.475527980061982,
4.006664920554083,
1.2073900628716294
],
[
6.713144278349271,
4.307291047655837,
3.2531944920602225
],
[
2.237918151650729,
1.956652482344163,
1... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Zn", "attached"... | [
"Zn",
"Ir",
"Ir",
"Ce",
"Ce"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
5.6803126,
-0.10447013,
-0.07949265
],
[
-0.1044701,
4.5989666,
-0.06641914
],
[
-0.07949235,
-0.06641911,
4.6350403
]
] | -34.38426 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0.00000113,
0.00816117,
-0.01080196
],
[
-0.00000113,
-0.00816117,
0.01080196
],
[
-0.00295025,
-0.00985149,
-0.00744537
],
[
0.00295025,
0.00985149,
0.00744537
]
] | 0.000251 | 5.041296 | pbe | true | d12a903ccae9bd010ff2629c1a6bd837_71_Ce2Zn1Ir2 |
[
"Ce",
"La",
"Ru"
] | 4 | A2BC | CeLaRu2 | La1 Ce1 Ru2 | 3 | [
1,
1,
1
] | 3 | [
[
4.95997517,
0.00000924,
0.00000288
],
[
2.47999558,
4.29546586,
-0.00000116
],
[
2.4799926,
1.43182049,
4.04980642
]
] | agm002236070 | [
[
4.959973930011605,
0.000011989092338400001,
0.0000033659743176000004
],
[
4.959980831805752,
2.863648453635229,
2.024904596473872
],
[
2.4799905646959384,
1.4318210195405972,
1.0124519135074082
],
[
7.4399649237494465,
4.295476875672261,
3.03735922334295... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Ru", "attached"... | [
"Ru",
"Ru",
"Ce",
"La"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
3.6711392,
-0.00438144,
0.00076914
],
[
-0.00438131,
3.6788707,
0.00054809
],
[
0.00076924,
0.00054793,
3.6672878
]
] | -30.130189 | [
0,
0,
0,
0
] | [
[
-0.0000314,
-0.00000138,
0.00000945
],
[
0.00001359,
0.00000485,
-0.00000278
],
[
-0.00001626,
0.0000236,
0.00000869
],
[
0.00003407,
-0.00002707,
-0.00001536
]
] | 0 | 4.024785 | pbe | true | 73961c071c2b3768dbd49ab647233631_225_La1Ce1Ru2 |
[
"Ce",
"Mg",
"V"
] | 8 | A6BC | CeMg6V | Ce1 Mg6 V1 | 3 | [
1,
1,
1
] | 3 | [
[
2.99080511,
-5.98532334,
0
],
[
2.99080511,
5.98532334,
0
],
[
0,
0,
5.15036463
]
] | agm005497976 | [
[
2.99080511,
2.1862935318642385,
2.575182315
],
[
4.480299628585707,
-0.8527030399465036,
2.575182315
],
[
1.5013105914142941,
-0.8527030399465044,
2.575182315
],
[
4.511186241209647,
0.9089167777831505,
0
],
[
1.4704239787903532,
0.9089167777... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "V", "attached":... | [
"Ce",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"V"
] | 2023-11-16 06:57:59 | [
0.125,
0.75,
0.125
] | [
[
3.507565,
0,
0
],
[
0,
3.3179204,
0
],
[
0,
0,
3.454397
]
] | -22.999023 | [
0.798,
-0.007,
-0.007,
-0.007,
-0.007,
0.001,
0.009,
2.408
] | [
[
0,
0.0009895,
0
],
[
0.00136053,
0.00143375,
0
],
[
-0.00136053,
0.00143375,
0
],
[
-0.00094332,
-0.00062649,
0
],
[
0.00094332,
-0.00062649,
0
],
[
0,
-0.00023149,
0
],
[
0,
0.0002782,
0
],
[
0,
... | 3.947531 | 7.836517 | pbe | true | 647dc2b23e8bb426cfdc44c09761b1bf_38_Ce1Mg6V1 |
[
"Ce",
"N",
"Rh"
] | 6 | ABC | CeNRh | Ce2 Rh2 N2 | 3 | [
1,
1,
1
] | 3 | [
[
3.84186381,
-0.00483583,
0.00069712
],
[
0.00484665,
3.84149734,
0.00228093
],
[
1.91852654,
1.91548791,
7.41424236
]
] | agm003607492 | [
[
1.7606262247397553,
1.5286480721216194,
3.327744624901292
],
[
3.68362903578368,
3.4455249222282833,
5.697226773057355
],
[
1.765066936767217,
3.448991134160729,
0.8068427572631179
],
[
3.6835943746995072,
1.5255890929539848,
0.8060161725060347
],
[
... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "N", "attached":... | [
"Ce",
"Ce",
"Rh",
"Rh",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.38100034,
-0.00094958,
0.01779354
],
[
-0.0009496,
0.39652058,
-0.005923
],
[
0.01779348,
-0.00592295,
0.6825968
]
] | -47.703514 | [
-0.026,
-0.026,
0.584,
0.584,
0.005,
0.005
] | [
[
0.00088475,
-0.00062152,
0.00187776
],
[
-0.00019992,
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-0.0000502
],
[
-0.00075914,
0.00084605,
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],
[
-0.00070294,
0.00084368,
-0.00135564
],
[
0.00055083,
-0.00025925,
0.00105332
],
[
0.00022641,
-0.0006... | 1.147157 | 4.069728 | pbe | true | db40c36b44470d25cc51e24f16c8bec5_139_Ce2Rh2N2 |
[
"Ce",
"Nd",
"Tb"
] | 11 | A8B2C | CeNd2Tb8 | Tb8 Ce1 Nd2 | 3 | [
1,
1,
1
] | 3 | [
[
5.57973105,
-0.63929574,
-0.44656362
],
[
0.80894363,
9.80679074,
2.5991831
],
[
0.80894363,
5.81536178,
8.3132704
]
] | agm003522654 | [
[
2.0891615293797505,
4.6796164149003125,
5.2710189617801735
],
[
2.0891615293797505,
6.559509565139224,
2.5797838971487965
],
[
5.10845678062025,
10.303240365099688,
5.194870918219826
],
[
2.203771982179517,
8.37802172278655,
5.852251945922703
],
[
... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Nd", "attached"... | [
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Ce",
"Nd",
"Nd"
] | 2023-11-16 06:57:59 | [
0.09090909090909091,
0.18181818181818182,
0.7272727272727273
] | [
[
0.3807975,
0.0675143,
0.04716038
],
[
0.0675143,
0.45914227,
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],
[
0.04716038,
-0.14603727,
0.5661971
]
] | -50.479972 | [
0.013,
0.013,
0.013,
0.011,
0.013,
0.015,
0.015,
0.011,
0.947,
-0.022,
-0.022
] | [
[
-0.00104731,
0.00325367,
0.00301056
],
[
-0.00104731,
0.0039464,
0.00201886
],
[
0.00104731,
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],
[
0.00216008,
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0.0016677
],
[
0.00104731,
-0.0039464,
-0.00201886
],
[
-0.00174697,
-0.0012688... | 1.242115 | 21.98659 | pbe | true | 962030a9b3f83492d7961582c891be94_12_Tb8Ce1Nd2 |
[
"Ce",
"Ni",
"Si"
] | 9 | A4B3C2 | Ce3Ni4Si2 | Ce3 Si2 Ni4 | 3 | [
1,
1,
1
] | 3 | [
[
4.10980568,
0,
0
],
[
-2.05490284,
5.18815075,
-0.38492955
],
[
0,
-2.64643655,
7.64837736
]
] | agm003338114 | [
[
2.0549028194509713,
-0.43809689516193195,
5.1590244416698745
],
[
0,
0,
0
],
[
2.05490281889334e-8,
2.979811095161932,
2.1044233683301248
],
[
2.05490284,
0.7815781927359262,
2.3143346651299095
],
[
2.2351568791782483e-17,
1.7601360072640744,... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Si", "attached"... | [
"Ce",
"Ce",
"Ce",
"Si",
"Si",
"Ni",
"Ni",
"Ni",
"Ni"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.4444444444444444,
0.2222222222222222
] | [
[
-3.3612976,
0,
0
],
[
0,
-3.3588355,
0.01094758
],
[
0,
0.01094798,
-3.3847766
]
] | -57.187087 | [
0.018,
0.237,
0.018,
0,
0,
-0.01,
-0.01,
-0.003,
-0.003
] | [
[
0,
-0.00141892,
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],
[
0,
0,
0
],
[
0,
0.00141892,
0.0038041
],
[
0,
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],
[
0,
0.00134136,
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],
[
0,
0.00324394,
-0.00691062
],
[
0,
-0.00324394,
0.00691062
],
[... | 0.305923 | 11.684978 | pbe | true | ab27d4ff4b7d668c2b47a8f2d9059767_12_Ce3Si2Ni4 |
[
"Ce",
"O",
"Pu"
] | 11 | A8B2C | Ce2O8Pu | Ce2 Pu1 O8 | 3 | [
1,
1,
1
] | 3 | [
[
3.74413385,
0,
0
],
[
-1.87206693,
6.48865002,
-0.9788237
],
[
0,
0.09286966,
6.53253003
]
] | agm005879598 | [
[
1.8720669224882496,
3.3283572008318596,
4.346593588339768
],
[
-2.4882499144983717e-9,
3.25316247916814,
1.2071127416602323
],
[
1.8720594367323,
0,
0
],
[
0.0000018675199424045953,
5.923895600976512,
0.7375470330398368
],
[
1.8720669418731148,
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Pu", "attached": ... | [
"Ce",
"Ce",
"Pu",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.18181818181818182,
0.7272727272727273,
0.09090909090909091
] | [
[
1.2658569,
0,
0
],
[
0,
1.1106466,
0.3012158
],
[
0,
0.30121574,
1.433874
]
] | -94.654657 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.00014445,
0.00099544
],
[
0,
-0.00014445,
-0.00099544
],
[
0,
0,
0
],
[
0,
-0.00017545,
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],
[
0,
0.00057277,
0.00062406
],
[
0,
-0.00326535,
-0.00230218
],
[
0,
0.00262878,
0.00437079
],
... | 0 | -0.262159 | pbe | true | 04a4f7d6619e96050d989f004d4b7468_12_Ce2Pu1O8 |
[
"Ce",
"Pb",
"Sm"
] | 17 | A10B6C | Ce6Pb10Sm | Ce6 Sm1 Pb10 | 3 | [
1,
1,
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[
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1
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0.000... | 6.540729 | 36.54891 | pbe | true | 0f2f1bed7b29016bca55f109dbae694f_12_Ce5Pm1Sb5 |
[
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1,
1,
1
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2e-8,
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... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Tm", "attached"... | [
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[
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1,
1,
1
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[
... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Y", "attached":... | [
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0.00175... | 0.000104 | 38.28233 | pbe | true | 01b42836870adae1bea04d80b3d7a838_2_Ce4Pr12Y4 |
[
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1,
1,
1
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[
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3.514489862... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Rb", "attached"... | [
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[
... | 7.911203 | 36.48856 | pbe | true | 66328afa152b7048669eb5eb96c13906_147_Rb1Ce6Se8 |
[
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1,
1,
1
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0,
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0,
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[
5... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Th", "attached"... | [
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[
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0.0010... | 0.000222 | 35.11106 | pbe | true | beed92206888c1760918204e2f31a7e9_62_Ce8Th4Rh4 |
[
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1,
1,
1
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... | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ce", "attached": ... | [
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] | 2023-11-16 06:57:59 | [
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0.087,
0.071,
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-0.02,
-0.02,
-0.02,
-0.02,
-0.018,
-0.02,
-0.018,
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] | [
[
0.00218832,
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],
[
0.00161603,
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[
0.00021843,
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[
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[
-0.00161603,
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0.0005144
],
[
-0.00218832,
-0.0001582,
... | 5.094283 | 38.483932 | pbe | true | d4d97124af4a8708f5443ce7f690a5d2_148_Ce6Zr2S12 |
[
"Ce",
"Sm",
"Zn"
] | 12 | A9B2C | Ce2SmZn9 | Ce2 Sm1 Zn9 | 3 | [
1,
1,
1
] | 3 | [
[
5.41262941,
0,
0
],
[
2.7063147,
4.68747457,
0
],
[
2.7063147,
1.56249152,
8.82949099
]
] | agm003539469 | [
[
8.1189413751453,
4.687472990406711,
3.911951278408279
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[
2.706317434854701,
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],
[
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[
5.412632085897674,
3.124984593512726,
0.0544305450416837
],
[
5.412626724102326,
3.124981496487274,
8.775... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Zn", "attached"... | [
"Ce",
"Ce",
"Sm",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.08333333333333333,
0.75
] | [
[
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0,
0
],
[
0,
5.2080584,
0
],
[
0,
0,
5.3264437
]
] | -31.304886 | [
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0.526,
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] | [
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[
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[
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[
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[
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[
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[
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],
[
0.00094831,
-0.00054751,
-0.00034... | 1.167319 | 13.024981 | pbe | true | 5d366fafcf10ae59efe1aeb236cb81b0_166_Ce2Sm1Zn9 |
[
"Ce",
"Te",
"Tl"
] | 6 | ABC | CeTeTl | Ce2 Tl2 Te2 | 3 | [
1,
1,
1
] | 3 | [
[
4.49131769,
0,
0
],
[
0,
4.49131769,
0
],
[
0,
0,
9.04003921
]
] | agm002321739 | [
[
3.3684882675,
1.1228294225,
0
],
[
1.1228294225,
3.3684882675,
0
],
[
1.1228294225,
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],
[
3.3684882675,
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3.0672868407596656
],
[
1.1228294225,
1.1228294225,
2.781031558364429
],
[
3.3684... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Te", "attached"... | [
"Tl",
"Tl",
"Te",
"Te",
"Ce",
"Ce"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.7458771,
0,
0
],
[
0,
1.7458771,
0
],
[
0,
0,
1.1248477
]
] | -27.738066 | [
0.029,
0.029,
-0.012,
-0.012,
0.891,
0.891
] | [
[
0,
0,
0
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[
0,
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[
0,
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0.01637787
],
[
0,
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],
[
0,
0,
-0.00663152
],
[
0,
0,
0.00663152
]
] | 2.229987 | 21.749561 | pbe | true | ce8b4f01f9d82a68c40623876ad2b897_129_Ce2Tl2Te2 |
[
"Cl",
"Cr",
"Os"
] | 5 | A3BC | ClCrOs3 | Cr1 Os3 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
4.54324119,
0,
0
],
[
0,
4.54324119,
0
],
[
0,
0,
4.54324119
]
] | agm002447855 | [
[
0,
0,
0
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[
0,
2.271620595,
0
],
[
0,
0,
2.271620595
],
[
2.271620595,
0,
0
],
[
2.271620595,
2.271620595,
2.271620595
]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Os", "attached"... | [
"Cr",
"Os",
"Os",
"Os",
"Cl"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
4.1987085,
0,
0
],
[
0,
4.1987085,
0
],
[
0,
0,
4.1987085
]
] | -34.343157 | [
-0.358,
1.188,
1.079,
0.978,
0.335
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.540735 | 6.263198 | pbe | true | da24959594a15771f17343d3172acd89_221_Cr1Os3Cl1 |
[
"Cl",
"Cs",
"Re"
] | 5 | A3BC | ClCs3Re | Cs3 Re1 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
5.97091804,
0,
0
],
[
0,
5.97091804,
0
],
[
0,
0,
5.97091804
]
] | agm002447912 | [
[
0,
2.98545902,
0
],
[
0,
0,
2.98545902
],
[
2.98545902,
0,
0
],
[
0,
0,
0
],
[
2.98545902,
2.98545902,
2.98545902
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Cs", "attached"... | [
"Cs",
"Cs",
"Cs",
"Re",
"Cl"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
0.3634327,
0,
0
],
[
0,
0.3634327,
0
],
[
0,
0,
0.3634327
]
] | -13.605078 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000041 | 4.423428 | pbe | true | ab02effc440564b02df8048d983ac764_221_Cs3Re1Cl1 |
[
"Cl",
"Cs",
"Sb"
] | 20 | A6B3C | Cl6Cs3Sb | Cs6 Sb2 Cl12 | 3 | [
1,
1,
1
] | 3 | [
[
9.5703144,
-0.01979661,
-0.02024069
],
[
-0.22746514,
9.56763133,
-0.0202407
],
[
-0.22746515,
-0.23245581,
9.56482845
]
] | agm003572983 | [
[
3.7498876613917846,
8.70668304070634,
7.137681744131609
],
[
8.623261371243245,
7.048578080731473,
4.0952897427386405
],
[
2.255588145506448,
5.415717316015172,
0.6614848520964921
],
[
6.859795964493553,
3.8996615939848267,
8.862862207903508
],
[
... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Cs", "attached"... | [
"Cs",
"Cs",
"Cs",
"Cs",
"Cs",
"Cs",
"Sb",
"Sb",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.6,
0.3,
0.1
] | [
[
-0.13584006,
0.0055971,
0.00572279
],
[
0.00559723,
-0.1355971,
0.00584822
],
[
0.00572266,
0.00584834,
-0.13533759
]
] | -67.250027 | [
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0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00718092,
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],
[
0.00083609,
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0.00711215
],
[
0.00409078,
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[
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],
[
-0.00083609,
0.0040736,
-0.00711215
],
[
-0.00718092,
-0.00099... | -0.000014 | 0 | pbe | true | f8cc04608343243ee29777ffc1268538_148_Cs6Sb2Cl12 |
[
"Cl",
"Cu",
"F"
] | 10 | A2B2C | Cl2CuF2 | Cu2 Cl4 F4 | 3 | [
1,
1,
1
] | 3 | [
[
5.41500035,
0,
0
],
[
0,
5.41500035,
0
],
[
0,
0,
6.69284741
]
] | agm002974945 | [
[
1.4352247784161385,
4.142724953416138,
0
],
[
4.142724953416138,
3.979775571583861,
0
],
[
3.979775571583861,
1.2722753965838614,
0
],
[
1.2722753965838614,
1.4352247784161385,
0
],
[
0,
0,
0
],
[
2.707500175,
2.707500175,
... | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Cl", "attached": ... | [
"F",
"F",
"F",
"F",
"Cu",
"Cu",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
1.7845985,
0,
0
],
[
0,
1.7845985,
0
],
[
0,
0,
2.981087
]
] | -30.902223 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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0
],
[
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0.00209989,
0
],
[
0.00209989,
0.00209989,
0
],
[
0.00209989,
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0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.01307909,
0.01307909,
0
],
[
0.01307909,
... | -0 | 3.959847 | pbe | true | 11fecc11009a192acad6f2832ad96051_127_Cu2Cl4F4 |
[
"Cl",
"Cu",
"Rh"
] | 4 | A2BC | ClCu2Rh | Cu2 Rh1 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
5.01676437,
0.00024215,
-1e-8
],
[
2.35411917,
4.43012954,
-1e-8
],
[
-3.68544417,
-2.21518729,
2.58425451
]
] | agm003856153 | [
[
1.1770583850000003,
2.2150640475000003,
1.292127245
],
[
0,
0,
0
],
[
3.6854417699999997,
2.215185845,
-1e-8
],
[
2.5083809849999996,
0.00012035250000019815,
1.292127245
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Rh", "attached"... | [
"Rh",
"Cu",
"Cu",
"Cl"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
-3.9824557,
0.24587862,
0.00000409
],
[
0.24587862,
-4.2437396,
0.00000246
],
[
0.00000409,
0.00000246,
-4.3915124
]
] | -15.485642 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 1.933525 | pbe | true | 43cc9fd6fa0b7ffb6bb636d1e94efea6_139_Cu2Rh1Cl1 |
[
"Cl",
"Cu",
"Ta"
] | 5 | A3BC | ClCuTa3 | Ta3 Cu1 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
4.50247414,
0,
0
],
[
0,
4.50247414,
0
],
[
0,
0,
4.50247414
]
] | agm002448080 | [
[
0,
0,
0
],
[
2.25123707,
2.25123707,
2.25123707
],
[
0,
2.25123707,
0
],
[
0,
0,
2.25123707
],
[
2.25123707,
0,
0
]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cu", "attached"... | [
"Cl",
"Cu",
"Ta",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
-1.8417927,
0,
0
],
[
0,
-1.8417927,
0
],
[
0,
0,
-1.8417927
]
] | -36.077889 | [
0,
0,
0.001,
-0.001,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 6.98252 | pbe | true | f71cfb51c40f06fc137b4392212dad59_221_Ta3Cu1Cl1 |
[
"Cl",
"F",
"Hg"
] | 6 | ABC | ClFHg | Hg2 Cl2 F2 | 3 | [
1,
1,
1
] | 3 | [
[
12.31626576,
0,
0
],
[
0,
3.64640258,
0
],
[
0,
0,
15.0000003
]
] | agm2000065463 | [
[
1.0504055342579903,
3.2776326616860727,
7.50000015
],
[
7.208538537420648,
1.4544313716860726,
7.50000015
],
[
8.537643553567403,
3.2776326252220467,
7.5000003000000035
],
[
2.379510919892717,
1.4544313716860726,
7.499999999999997
],
[
4.16835713... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Cl", "attached": ... | [
"F",
"F",
"Hg",
"Hg",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.11427187,
0,
0
],
[
0,
0.14645496,
0
],
[
0,
0,
-0.3364453
]
] | -13.146719 | [
0,
0,
0,
0,
0,
0
] | [
[
-0.00334954,
0,
0
],
[
-0.00334954,
0,
0
],
[
0.00000477,
0,
0
],
[
0.00000477,
0,
0
],
[
0.00334478,
0,
0
],
[
0.00334478,
0,
0
]
] | 0.000003 | 0 | pbe | true | 74257245689c411003b29d5237f09152_38_Hg2Cl2F2 |
[
"Cl",
"I",
"Na"
] | 6 | A3B2C | Cl2INa3 | Na3 I1 Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
4.18930826,
0.01436129,
0
],
[
-4.2055926,
4.17578857,
0
],
[
0,
0,
21.28697941
]
] | agm2000056816 | [
[
-3.197002914419674,
3.5167832526859715,
13.784217478506102
],
[
-3.1970028316105696,
3.5167835043821896,
7.502761718624104
],
[
-1.0958407332366555,
1.4335929055700671,
10.643489705
],
[
-3.198071993746952,
3.521514394511744,
10.643489705
],
[
-1... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "I", "attached":... | [
"Na",
"Na",
"Na",
"I",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.16666666666666666,
0.5
] | [
[
0.11882773,
0.02514099,
0
],
[
0.025141,
0.15392627,
0
],
[
0,
0,
-0.12220126
]
] | -18.195768 | [
0,
0,
0,
0,
0,
0
] | [
[
-0.00004197,
0.00056976,
0.00350683
],
[
-0.00004197,
0.00056976,
-0.00350683
],
[
0.00190447,
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0
],
[
-0.00128118,
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0
],
[
-0.00026967,
0.00016223,
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],
[
-0.00026967,
0.00016223,
0.00263... | 0 | 0 | pbe | true | 108a7aa57e934b5b9d4f61b154b3235b_123_Na3I1Cl2 |
[
"Cl",
"I",
"Pd"
] | 3 | ABC | ClIPd | Pd1 I1 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
5.27026518,
0.10149681,
0
],
[
0.08328551,
4.66261172,
0
],
[
0,
0,
15
]
] | agm2000053262 | [
[
0.7146871761523146,
1.8243062778420778,
7.5
],
[
3.4418238029861534,
1.3238475062174537,
7.5
],
[
1.1334056221383255,
4.096948900148484,
7.5
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Pd", "attached": ... | [
"Pd",
"I",
"Cl"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.4800865,
0.01752772,
0
],
[
0.01752773,
0.47957554,
0
],
[
0,
0,
-0.09480673
]
] | -8.645276 | [
0,
0,
0
] | [
[
0.00237588,
-0.00100094,
0
],
[
-0.00288138,
-0.00172703,
0
],
[
0.0005055,
0.00272797,
0
]
] | 0 | 3.1607 | pbe | true | 5cf3fc0348312b4e610307424c665382_6_Pd1I1Cl1 |
[
"Cl",
"I",
"Pa"
] | 7 | A4B2C | Cl2I4Pa | Pa1 I4 Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
5.47845846,
0,
0
],
[
0,
13.39148965,
-0.78012015
],
[
-2.73922923,
-6.7905222,
4.77747406
]
] | agm003449078 | [
[
0,
0,
0
],
[
2.7392264633784777,
-3.926606838950257,
3.620883145731387
],
[
0.0000027666215222607365,
10.527574288950259,
0.37647076426861326
],
[
2.7392292573922923,
1.6326152747940033,
0.681304760535399
],
[
-2.7392292182733066e-8,
4.968352... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "I", "attached":... | [
"Pa",
"I",
"I",
"I",
"I",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.5714285714285714,
0.14285714285714285
] | [
[
-0.06654798,
0,
0
],
[
0,
0.01045738,
-0.00068269
],
[
0,
-0.00068159,
-0.13992141
]
] | -25.855255 | [
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
-0.0021041,
-0.00031769
],
[
0,
0.0021041,
0.00031769
],
[
0,
-0.00047958,
-0.00257473
],
[
0,
0.00047958,
0.00257473
],
[
0,
-0.00233555,
0.00487599
],
[
0,
0.00233555,
-0.00487599
]
] | 0 | 5.126055 | pbe | true | c50401e3c4403e3b77eb738bef384663_12_Pa1I4Cl2 |
[
"Cl",
"Li",
"Ta"
] | 3 | ABC | ClLiTa | Li1 Ta1 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
4.09188228,
0,
0
],
[
2.04594114,
3.54367401,
0
],
[
2.04594114,
1.18122467,
3.34100789
]
] | agm003965335 | [
[
6.13782342,
3.54367401,
2.5057559175
],
[
0,
0,
0
],
[
4.09188228,
2.36244934,
1.670503945
]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Li", "attached"... | [
"Cl",
"Li",
"Ta"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.43859598,
0,
0
],
[
0,
0.43859598,
0
],
[
0,
0,
0.43859598
]
] | -13.40999 | [
0.002,
0.015,
0.264
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.429725 | 3.568084 | pbe | true | ce893024e8c8d2f627d6832b68d6039e_216_Li1Ta1Cl1 |
[
"Cl",
"Mg",
"Mo"
] | 4 | A2BC | ClMg2Mo | Mg2 Mo1 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
5.53544903,
0.00467661,
0.0071918
],
[
4.73694599,
2.86401127,
0.0071918
],
[
1.44002984,
0.40214538,
4.95614148
]
] | agm003845630 | [
[
2.328385946325612,
0.6502293324135986,
1.1884005771998805
],
[
10.218447416954774,
2.853622373613464,
0.2355464583748388
],
[
9.05258918859553,
2.528042668810145,
3.332147263132466
],
[
6.241609772524382,
1.7430433991842469,
2.71407697085423
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Mg", "attached"... | [
"Cl",
"Mg",
"Mg",
"Mo"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.8731286,
0.01515083,
-0.07612775
],
[
0.01515083,
0.8231065,
-0.02125957
],
[
-0.0761279,
-0.02125962,
1.2240951
]
] | -15.647552 | [
0,
0,
0,
-0.001
] | [
[
-0.00600833,
-0.0016779,
0.00167901
],
[
0.00184197,
0.00051439,
0.00120976
],
[
0.00203371,
0.00056794,
0.00493836
],
[
0.00213264,
0.00059557,
-0.00782712
]
] | -0.001443 | 3.234268 | pbe | true | f1812d66b0152041c4a3afca09ff3909_8_Mg2Mo1Cl1 |
[
"Cl",
"Mn",
"Rb"
] | 80 | A12B5C3 | Cl12Mn5Rb3 | Rb12 Mn20 Cl48 | 3 | [
1,
1,
1
] | 3 | [
[
14.31830875,
0,
0
],
[
-4.77276959,
13.49943095,
0
],
[
-4.77276959,
-6.74971548,
11.69085014
]
] | agm001256887 | [
[
8.3523467675,
4.21857217125,
1.4613562675
],
[
8.352346765,
9.280858777499999,
1.4613562675
],
[
-1.1931924050000005,
5.906001037499999,
7.3067813375
],
[
1.1931923924999999,
-0.8437144362499999,
4.3840688025
],
[
10.73873156,
-1.249999881380... | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Cl", "attached"... | [
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"... | 2023-11-16 06:57:59 | [
0.6,
0.25,
0.15
] | [
[
0.6264178,
0,
0
],
[
0,
0.6264178,
0
],
[
0,
0,
0.6264178
]
] | -385.016968 | [
0.002,
0.002,
0.002,
0.002,
0.002,
0.002,
0.002,
0.002,
0.002,
0.002,
0.002,
0.002,
4.257,
4.304,
4.304,
4.257,
4.304,
4.304,
4.257,
4.257,
4.257,
4.257,
4.257,
4.304,
4.304,
4.304,
4.257,
4.257,
4.304,
4.257,
4.257,
4.257,
0.054,
0.054,
0.054,
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,
0
],... | 95.99569 | 40.205967 | pbe | true | 7d8f66687c7068dda63c848c870ced38_230_Rb12Mn20Cl48 |
[
"Cl",
"N",
"Nd"
] | 10 | A2B2C | Cl2N2Nd | Nd2 N4 Cl4 | 3 | [
1,
1,
1
] | 3 | [
[
6.62756447,
-0.50834017,
3.52918544
],
[
0.74759735,
6.94225963,
0.00587409
],
[
0.44213838,
-0.58223359,
6.98395547
]
] | agm005876576 | [
[
1.7958459618016034,
3.135605793908127,
5.2412588549369366
],
[
6.021454238198396,
2.7160800760918726,
5.277756145063064
],
[
1.4029630767865344,
1.405655250655757,
6.945628327765071
],
[
6.414337123213466,
4.446030619344242,
3.5733866722349283
],
[
... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "N", "attached":... | [
"Nd",
"Nd",
"N",
"N",
"N",
"N",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
0.36209673,
-0.00507845,
0.03065228
],
[
-0.00507851,
0.25426874,
0.12107036
],
[
0.03065224,
0.12107035,
0.08153579
]
] | -62.733493 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00112371,
-0.00038864,
0.00059399
],
[
-0.00112371,
0.00038864,
-0.00059399
],
[
-0.00428023,
-0.01294114,
0.01031172
],
[
0.00428023,
0.01294114,
-0.01031172
],
[
-0.00424049,
-0.01415742,
0.01839464
],
[
0.00424049,
0.0141... | 0.000001 | -0.158725 | pbe | true | 40331a018d34cb0e0882558bf4887731_2_Nd2N4Cl4 |
[
"Cl",
"N",
"U"
] | 6 | ABC | ClNU | U2 N2 Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
3.86234938,
0,
0
],
[
0,
4.0710464,
0
],
[
0,
0,
21.1916832
]
] | agm2000136896 | [
[
0,
0,
10.763700286876704
],
[
1.93117469,
2.0355232,
10.427983125040129
],
[
1.93117469,
0,
9.502300522590815
],
[
0,
2.0355232,
11.68938246549235
],
[
0,
0,
7.500000097102176
],
[
1.93117469,
2.0355232,
13.691683314814656... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "N", "attached": n... | [
"N",
"N",
"U",
"U",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.139393,
0,
0
],
[
0,
0.19311824,
0
],
[
0,
0,
-0.43632847
]
] | -52.3641 | [
-0.101,
-0.101,
1.958,
1.958,
-0.019,
-0.019
] | [
[
0,
0,
0.00329304
],
[
0,
0,
-0.00329304
],
[
0,
0,
-0.00270955
],
[
0,
0,
0.00270955
],
[
0,
0,
0.00433511
],
[
0,
0,
-0.00433511
]
] | 4.000026 | 7.731204 | pbe | true | 0fe73e8cd742d232db4673f62b0396b3_59_U2N2Cl2 |
[
"Cl",
"Os",
"Pu"
] | 4 | A2BC | ClOsPu2 | Pu2 Os1 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
3.27551279,
0,
0
],
[
0,
3.27551279,
0
],
[
0,
0,
8.03463853
]
] | agm001154858 | [
[
1.637756395,
1.637756395,
4.017319265
],
[
1.637756395,
1.637756395,
0
],
[
0,
0,
6.252015213912087
],
[
0,
0,
1.7826233160879132
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Pu", "attached"... | [
"Cl",
"Os",
"Pu",
"Pu"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.5848174,
0,
0
],
[
0,
2.5848174,
0
],
[
0,
0,
2.4965568
]
] | -44.20825 | [
-0.022,
-0.526,
5.342,
5.342
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00314614
],
[
0,
0,
0.00314614
]
] | 10.648601 | 11.292155 | pbe | true | c91a9568f457b16c8a3f9ed10ce1ac71_123_Pu2Os1Cl1 |
[
"Cl",
"Os",
"Tc"
] | 4 | A2BC | ClOs2Tc | Tc1 Os2 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
8.83514356,
0.01539431,
0.0090453
],
[
8.38283123,
2.79072378,
0.0090453
],
[
8.38283123,
1.366201,
2.43345759
]
] | agm003902052 | [
[
19.200604515000002,
3.1292393175,
1.8386611425000001
],
[
25.54769561186315,
4.1636633637086495,
2.446462306186954
],
[
12.85351341813685,
2.09481527129135,
1.2308599788130463
],
[
6.400201505,
1.0430797725,
0.6128870475
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Os", "attached"... | [
"Cl",
"Os",
"Os",
"Tc"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
5.1111403,
0.12722005,
0.07475126
],
[
0.12722005,
4.3512683,
0.01218267
],
[
0.07475126,
0.01218267,
4.3376927
]
] | -32.613786 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0.00408605,
0.00066593,
0.00039128
],
[
-0.00408605,
-0.00066593,
-0.00039128
],
[
0,
0,
0
]
] | 0.000001 | 2.937882 | pbe | true | fd4008b8ac33f726c3285cc0ffbec2c9_166_Tc1Os2Cl1 |
[
"Cl",
"Os",
"Tc"
] | 3 | ABC | ClOsTc | Tc1 Os1 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
4.21952459,
0,
0
],
[
2.1097623,
3.65421549,
0
],
[
2.1097623,
1.21807183,
3.4452274
]
] | agm003902631 | [
[
4.219524594999999,
2.43614366,
1.7226137
],
[
2.1097622974999997,
1.21807183,
0.86130685
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Os", "attached"... | [
"Cl",
"Os",
"Tc"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
3.2545738,
0,
0
],
[
0,
3.2545738,
0
],
[
0,
0,
3.2545738
]
] | -20.024151 | [
0,
0,
0.002
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.00185 | 3.998741 | pbe | true | 9d65423b2388e571cfb4a6372207ddad_216_Tc1Os1Cl1 |
[
"Cl",
"Pd",
"Te"
] | 6 | ABC | ClPdTe | Te2 Pd2 Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
3.68819589,
0,
0
],
[
0,
5.70202314,
0
],
[
0,
0,
20.47771894
]
] | agm2000135864 | [
[
0,
0,
11.001854772606231
],
[
1.844097945,
2.85101157,
9.475864167393766
],
[
1.844097945,
0,
9.15314412231851
],
[
0,
2.85101157,
11.324574817681489
],
[
0,
0,
7.499999988228766
],
[
1.844097945,
2.85101157,
12.9777189517... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Pd", "attached"... | [
"Te",
"Te",
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"Pd",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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[
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] | 0 | 3.204452 | pbe | true | eedda4c809319713d217bcedbd237a84_59_Te2Pd2Cl2 |
[
"Cl",
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"Rh"
] | 8 | A2BC | ClPtRh2 | Rh4 Pt2 Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.68880933,
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[
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... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pt", "attached"... | [
"Rh",
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[
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[
0,
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] | 0 | 15.535599 | pbe | true | f3bd4b4db5ee896fb429fb369f0d9a31_122_Rh4Pt2Cl2 |
[
"Cl",
"Pu",
"Te"
] | 12 | A3B2C | Cl3Pu2Te | Pu4 Te2 Cl6 | 3 | [
1,
1,
1
] | 3 | [
[
4.31890582,
0,
0
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[
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[
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] | agm003425983 | [
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... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Pu", "attached"... | [
"Pu",
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"Pu",
"Pu",
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"Te",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
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] | 2023-11-16 06:57:59 | [
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[
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0.00033263,
0.00545... | 22 | 45.743374 | pbe | true | 25fd01b05d6dea4ea01a387a933e8e0a_12_Pu4Te2Cl6 |
[
"Co",
"Cr",
"Ni"
] | 12 | A3B2C | CoCr2Ni3 | Cr4 Co2 Ni6 | 3 | [
1,
1,
1
] | 3 | [
[
4.11769845,
0.9187057,
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[
0.22096324,
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[
0.25387512,
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] | agm005883694 | [
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[
... | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ni", "attached"... | [
"Cr",
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"Cr",
"Cr",
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"Co",
"Ni",
"Ni",
"Ni",
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] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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[
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-0.000... | 0.001705 | 14.760541 | pbe | true | 24088d1b2280b9ced6536f518e939ccc_2_Cr4Co2Ni6 |
[
"Co",
"Cu",
"Te"
] | 4 | A2BC | CoCuTe2 | Co1 Cu1 Te2 | 3 | [
1,
1,
1
] | 3 | [
[
3.8671472,
0,
0
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[
0,
5.73919575,
0
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[
0,
0,
3.67466644
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] | agm004106895 | [
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[
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] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Cu", "attached"... | [
"Co",
"Cu",
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"Te"
] | 2023-11-16 06:57:59 | [
0.25,
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0.5
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[
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[
0,
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[
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] | -15.613827 | [
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[
0,
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[
0,
0,
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] | 1.558837 | 3.839651 | pbe | true | 25c1de5719486dcbb0605fb03e3afd91_47_Co1Cu1Te2 |
[
"Co",
"Dy",
"U"
] | 12 | A4BC | Co4DyU | Dy2 U2 Co8 | 3 | [
1,
1,
1
] | 3 | [
[
6.53635014,
0,
2.02668362
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[
0,
6.05034736,
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[
0.40443546,
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] | agm003757455 | [
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5.320253873065012,
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... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "U", "attached":... | [
"Dy",
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"Co",
"Co",
"Co",
"Co",
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] | 2023-11-16 06:57:59 | [
0.6666666666666666,
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[
0,
0.0006784... | -0.000671 | 12.541057 | pbe | true | 042de3abadb330f366b1b93202cfbdcf_12_Dy2U2Co8 |
[
"Co",
"Er",
"Fe"
] | 12 | A2BC | CoErFe2 | Er3 Fe6 Co3 | 3 | [
1,
1,
1
] | 3 | [
[
4.8129371,
0,
1.53005158
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[
2.16326427,
4.29937856,
1.53005159
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[
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] | agm005683417 | [
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[
5.302875828451746,
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... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Er", "attached"... | [
"Er",
"Er",
"Er",
"Fe",
"Fe",
"Fe",
"Fe",
"Fe",
"Fe",
"Co",
"Co",
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] | 2023-11-16 06:57:59 | [
0.25,
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[... | 16.539568 | 8.741764 | pbe | true | e7e4032b97614f25d9673cd5d80a8afc_166_Er3Fe6Co3 |
[
"Co",
"Er",
"La"
] | 12 | ABC | CoErLa | La4 Er4 Co4 | 3 | [
1,
1,
1
] | 3 | [
[
5.48488256,
0,
0
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[
0,
5.53001323,
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[
0,
0,
10.56132964
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] | agm005635014 | [
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[
4.11366192,
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[
1.37122064,
1.50626887... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Er", "attached"... | [
"La",
"La",
"La",
"La",
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"Er",
"Er",
"Er",
"Co",
"Co",
"Co",
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] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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] | -67.59125 | [
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[
0,
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[
0,
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... | 0 | 12.301519 | pbe | true | be0d3b13c11a0ee1e135847dae92cd11_74_La4Er4Co4 |
[
"Co",
"Er",
"Sn"
] | 6 | ABC | CoErSn | Co1 Er1 Sn1 | 3 | [
1,
1,
1
] | 3 | [
[
4.515828217,
0,
0
],
[
-2.257914108,
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0
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[
0,
0,
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] | oqmd-5929136 | [
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[
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] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Sn", "attached"... | [
"Co",
"Co",
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"Er",
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] | 2024-11-01 00:00:00 | [
0.3333333333333333,
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] | -33.9477 | [
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[
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[
0,
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[
0,
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] | 0.010279 | null | pbe | true | 6387ae57d748c0fef125f9bca35a6446_194_Er2Co2Sn2 |
[
"Co",
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"Tb"
] | 9 | A6B2C | CoEr6Tb2 | Tb2 Er6 Co1 | 3 | [
1,
1,
1
] | 3 | [
[
3.55081493,
0,
0.37101789
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[
0,
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[
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] | agm003491950 | [
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[
2.9605854865190504,
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]... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Er", "attached"... | [
"Tb",
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] | 2023-11-16 06:57:59 | [
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] | -42.243657 | [
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[
-0... | -0.000293 | 13.091352 | pbe | true | d0fedf816acabd1ab42c4783e7a2b422_65_Tb2Er6Co1 |
[
"Co",
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"Y"
] | 3 | ABC | CoErY | Y1 Er1 Co1 | 3 | [
1,
1,
1
] | 3 | [
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[
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"Y",
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] | 2023-11-16 06:57:59 | [
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] | -0.000002 | 2.868534 | pbe | true | cebbf50b1b6a5de46db4d7d1d3be6555_156_Y1Er1Co1 |
[
"Co",
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1,
1,
1
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0
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[
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[
"Co",
"Fe",
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1,
1,
1
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] | 0.475999 | 37.004875 | pbe | true | 409a489f126019cec0d86f89727642ad_221_Sr3Fe1Co1 |
[
"Co",
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] | 18 | A3B2C | Co3Ga2Nd | Co3 Ga2 Nd1 | 3 | [
1,
1,
1
] | 3 | [
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0
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[
-4.543735,
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[
0,
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] | oqmd-2015660 | [
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... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached"... | [
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] | 2024-11-01 00:00:00 | [
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[
0... | 2.22749 | null | pbe | true | 1e6a45e464acfa3c954e312a866ab595_191_Nd3Ga6Co9 |
[
"Co",
"Ga",
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] | 8 | A5B2C | CoGa5Pr2 | Pr2 Ga5 Co1 | 3 | [
1,
1,
1
] | 3 | [
[
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] | agm003479011 | [
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... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ga", "attached"... | [
"Pr",
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] | 2023-11-16 06:57:59 | [
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0.0015... | 0.000333 | 4.791103 | pbe | true | 3a011e6f6a899eae4387728b8eff53a9_107_Pr2Ga5Co1 |
[
"Co",
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"Sc"
] | 6 | A4BC | Co4GdSc | Co4 Gd1 Sc1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.517692906,
3.517692906
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[
3.517692906,
0,
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[
3.517692906,
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] | oqmd-9414238 | [
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[
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] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Sc", "attached"... | [
"Co",
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] | 2024-11-01 00:00:00 | [
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[
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] | -40.8307 | [
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0,
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0,
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] | 3.63604 | null | pbe | true | b9e5417f197785782b32d6333b432047_216_Gd1Sc1Co4 |
[
"Co",
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] | 5 | A2B2C | CoGe2Ir2 | Co1 Ge2 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
4.07431948,
0,
0
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[
0,
4.07431948,
0
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[
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] | agm002917852 | [
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ir", "attached"... | [
"Ge",
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] | 2023-11-16 06:57:59 | [
0.2,
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[
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] | -32.917021 | [
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[
0,
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] | 1.663412 | 4.604017 | pbe | true | 98360aad7bad7d026fff7f7531baeac6_139_Co1Ge2Ir2 |
[
"Co",
"H",
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] | 10 | A2B2C | Co2HNi2 | Co4 Ni4 H2 | 3 | [
1,
1,
1
] | 3 | [
[
4.86008871,
0.51125071,
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[
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[
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] | agm005876682 | [
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... | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ni", "attached": ... | [
"Co",
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] | 2023-11-16 06:57:59 | [
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] | -57.158319 | [
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[
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0.00108048... | 8.702991 | 11.584188 | pbe | true | 076147f1334f184e50a1ad3f0c722fb1_12_Co4Ni4H2 |
[
"Co",
"Hf",
"Mn"
] | 8 | A4B3C | CoHf4Mn3 | Hf4 Mn3 Co1 | 3 | [
1,
1,
1
] | 3 | [
[
3.17223654,
0,
0
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[
0,
4.46598255,
0
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[
0,
0,
8.87601787
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] | agm006003215 | [
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[
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[
... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Co", "attached"... | [
"Co",
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] | 2023-11-16 06:57:59 | [
0.125,
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[
0,
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[
0,
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] | -76.162407 | [
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[
0,
0,
0
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[
0,
0,
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] | 1.516014 | 7.94538 | pbe | true | 81cb98a455032ae03ee2f4edbdcc444d_47_Hf4Mn3Co1 |
[
"Co",
"Hg",
"Tm"
] | 10 | A2B2C | Co2HgTm2 | Tm4 Co4 Hg2 | 3 | [
1,
1,
1
] | 3 | [
[
3.85297514,
0,
0
],
[
0,
7.03071793,
0
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[
0,
0,
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] | agm002333356 | [
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[
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4.318178084331365... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Tm", "attached"... | [
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"Co",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
2.7185078,
0,
0
],
[
0,
2.740272,
0
],
[
0,
0,
2.740272
]
] | -49.694004 | [
-0.141,
-0.144,
-0.144,
-0.141,
0.773,
0.791,
0.773,
0.791,
-0.005,
-0.005
] | [
[
0,
0.00017513,
0.00017513
],
[
0,
-0.00017513,
0.00017513
],
[
0,
0.00017513,
-0.00017513
],
[
0,
-0.00017513,
-0.00017513
],
[
0,
0.00718502,
0.00718502
],
[
0,
-0.00718502,
0.00718502
],
[
0,
-0.00718502,
... | 2.474818 | 9.331769 | pbe | true | e593a3baec8dc7820042a49b0c59bff7_127_Tm4Co4Hg2 |
[
"Co",
"In",
"Ir"
] | 4 | A2BC | CoInIr2 | In1 Co1 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
4.73124685,
0.01061029,
-0.00497206
],
[
3.87922696,
2.70858035,
-0.00497206
],
[
0.89570198,
0.282863,
4.7164722
]
] | agm004423864 | [
[
7.129631842499999,
2.2515402300000003,
3.52989606
],
[
2.3765439475,
0.7505134099999999,
1.17663202
],
[
0.9439748992056515,
0.29810760473332515,
4.619203215623187
],
[
4.704814975794348,
1.4857822152666749,
2.450533024376814
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ir", "attached"... | [
"Co",
"In",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
4.564989,
0.03214642,
-0.04060954
],
[
0.03214642,
4.473347,
-0.01282451
],
[
-0.04060883,
-0.01282428,
4.3689985
]
] | -27.160763 | [
1.478,
-0.036,
0.177,
0.177
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00200787,
-0.00063408,
0.00358427
],
[
0.00200787,
0.00063408,
-0.00358427
]
] | 1.763774 | 4.468441 | pbe | true | af9f4d628ab6f2bba619fc4d2fd7ec90_12_In1Co1Ir2 |
[
"Co",
"In",
"Ni"
] | 3 | ABC | CoInNi | In1 Co1 Ni1 | 3 | [
1,
1,
1
] | 3 | [
[
2.88223871,
0,
0
],
[
-1.44111935,
2.49609194,
0
],
[
0,
0,
6.15599529
]
] | agm004393049 | [
[
0,
0,
6.018976131794426
],
[
-1.1077860147918321e-8,
1.6640613016536399,
2.0646414694867117
],
[
1.4411193710778603,
0.8320306383463602,
4.228372978718862
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ni", "attached"... | [
"Co",
"In",
"Ni"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
-3.80479,
0,
0
],
[
0,
-3.80479,
0
],
[
0,
0,
-4.5082374
]
] | -14.557463 | [
1.567,
-0.051,
0.428
] | [
[
0,
0,
0.00071411
],
[
0,
0,
0.00480756
],
[
0,
0,
-0.00552167
]
] | 1.842785 | 2.686117 | pbe | true | 0e4282258202297f313d490c24d93b3e_156_In1Co1Ni1 |
[
"Co",
"In",
"W"
] | 4 | A2BC | CoInW2 | In1 Co1 W2 | 3 | [
1,
1,
1
] | 3 | [
[
9.27401032,
0.00222205,
0.00130361
],
[
8.83629277,
2.81552878,
0.00130361
],
[
8.83629277,
1.37482356,
2.45704379
]
] | agm004334646 | [
[
6.7366489650000005,
1.0481435975,
0.6149127525
],
[
20.209946895,
3.1444307925,
1.8447382575000002
],
[
26.720888747883013,
4.157457009577666,
2.4390487517716495
],
[
13.699005042116987,
2.131404575422335,
1.250427763228351
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Co", "attached": ... | [
"Co",
"In",
"W",
"W"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
5.956987,
0.02793315,
0.0163875
],
[
0.02793315,
5.7818007,
0.0025497
],
[
0.0163875,
0.0025497,
5.77895
]
] | -33.643053 | [
0.698,
-0.004,
-0.028,
-0.028
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00097393,
0.00015153,
0.0000889
],
[
-0.00097393,
-0.00015153,
-0.0000889
]
] | 0.614165 | 2.2928 | pbe | true | 3fdc269e93ad041f3071a0d348d91732_166_In1Co1W2 |
[
"Cr",
"Pb",
"Re"
] | 3 | ABC | CrPbRe | Cr1 Re1 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
3.12001598,
0,
0
],
[
-1.56000799,
2.7020131,
0
],
[
0,
0,
6.69969651
]
] | agm004318694 | [
[
0,
0,
6.363163384636539
],
[
-1.5600080070518573e-8,
1.801342075673377,
2.1842047065650094
],
[
1.56000800560008,
0.9006710243266229,
4.852024861801485
]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Re", "attached"... | [
"Cr",
"Pb",
"Re"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
7.3911123,
0,
0
],
[
0,
7.3911123,
0
],
[
0,
0,
6.8880577
]
] | -23.700967 | [
0.001,
0,
0
] | [
[
0,
0,
0.01156144
],
[
0,
0,
0.0010862
],
[
0,
0,
-0.01264763
]
] | 0.00057 | 2.570085 | pbe | true | 63e75ea0136266206db71b1c1155eec1_156_Cr1Re1Pb1 |
[
"Co",
"Ir",
"Te"
] | 4 | A2BC | Co2IrTe | Co2 Te1 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
4.65344391,
0.00486855,
-0.00633218
],
[
1.34410482,
4.45510336,
0.00633219
],
[
-2.99491273,
-2.23518273,
2.76873867
]
] | agm004345887 | [
[
0.0000430024243941,
0.0000319779985947,
7.170000000220023e-14
],
[
0.0038186325756059958,
-0.005228752998594821,
2.7687386749999283
],
[
2.3286527725,
-0.0001641125000000354,
1.3812032475
],
[
0.6739832275000002,
2.2249532925,
1.3875354325
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ir", "attached"... | [
"Co",
"Co",
"Ir",
"Te"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
2.3906863,
-0.14917494,
-0.00586101
],
[
-0.14917494,
2.4803581,
0.00787801
],
[
-0.00586113,
0.00787817,
2.6025107
]
] | -24.889145 | [
1.343,
1.343,
0.415,
0.01
] | [
[
-0.0000907,
-0.00006744,
0
],
[
0.0000907,
0.00006744,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.068974 | 4.044342 | pbe | true | 92e9e4ab9a69328e9477f2855b2f5314_139_Co2Te1Ir1 |
[
"Co",
"La",
"Te"
] | 4 | A2BC | CoLa2Te | La2 Co1 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
4.21056306,
0.00709484,
0.01085147
],
[
2.10553679,
3.64631409,
0.01085147
],
[
2.07810198,
1.20203235,
7.58175105
]
] | agm004102363 | [
[
2.0985504575,
1.2138603200000002,
1.9008634975
],
[
6.312671386664572,
3.651425810947508,
0.3468245702940691
],
[
4.200529378335428,
2.4297037590524924,
3.476605364705931
],
[
6.2956513725,
3.64158096,
5.702590492500001
]
] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Te", "attached"... | [
"Co",
"La",
"La",
"Te"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.6125247,
-0.1383826,
0.06337208
],
[
-0.1383826,
0.7717194,
0.03665618
],
[
0.06337251,
0.03665644,
0.981116
]
] | -22.993523 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0.00194479,
0.00112492,
0.00373613
],
[
-0.00194479,
-0.00112492,
-0.00373613
],
[
0,
0,
0
]
] | 0.000089 | 2.429395 | pbe | true | 7af6898b966c4c6824869e2f8e9e3aa4_166_La2Co1Te1 |
[
"Co",
"Li",
"Na"
] | 3 | ABC | CoLiNa | Co1 Li1 Na1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.153937,
3.153937
],
[
3.153937,
0,
3.153937
],
[
3.153937,
3.153937,
0
]
] | oqmd-2892614 | [
[
1.576969999999998,
1.576969999999998,
1.576969999999998
],
[
4.730910000000001,
4.730910000000001,
4.730910000000001
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Na", "attached"... | [
"Co",
"Li",
"Na"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
-98.74489,
0,
0
],
[
0,
-98.74489,
0
],
[
0,
0,
-98.74489
]
] | -7.0592 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.54721 | null | pbe | true | 855dc2f5bece069c8476e02194f77f62_216_Na1Li1Co1 |
[
"Co",
"Li",
"N"
] | 5 | A3BC | CoLiN3 | Li1 Co1 N3 | 3 | [
1,
1,
1
] | 3 | [
[
3.44691141,
0,
0
],
[
0,
3.44691141,
0
],
[
0,
0,
3.44691141
]
] | agm002514010 | [
[
0,
0,
0
],
[
1.723455705,
1.723455705,
1.723455705
],
[
0,
1.723455705,
0
],
[
0,
0,
1.723455705
],
[
1.723455705,
0,
0
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "N", "attached":... | [
"Li",
"Co",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
45.14838,
0,
0
],
[
0,
45.14838,
0
],
[
0,
0,
45.14838
]
] | -22.771464 | [
0,
0,
0,
-0.001,
0.001
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 5.493779 | pbe | true | 40e69e6751f291ca719428c724cedac2_221_Li1Co1N3 |
[
"Co",
"Li",
"S"
] | 15 | A8B6C | Co6LiS8 | Li1 Co6 S8 | 3 | [
1,
1,
1
] | 3 | [
[
6.09447616,
-0.01996667,
-0.02062012
],
[
-0.21002929,
6.09088877,
-0.02062012
],
[
-0.21002929,
-0.21668502,
6.08706816
]
] | agm003700743 | [
[
0,
0,
0
],
[
3.4050440314596164,
2.5204444001217365,
4.949288409449463
],
[
2.413023037856012,
4.834632227429919,
3.639515301789849
],
[
4.757023915983695,
3.5551337857103587,
2.678463710320975
],
[
2.2693735485403836,
3.3337926798782633,
... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Li", "attached": ... | [
"Li",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.4,
0.06666666666666667,
0.5333333333333333
] | [
[
1.5625315,
0.00170432,
0.00176011
],
[
0.00170434,
1.5626378,
0.00181587
],
[
0.0017601,
0.00181589,
1.5627549
]
] | -84.71014 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
-0.00006392,
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-0.00031029
],
[
-0.00295273,
-0.00030511,
-0.00016599
],
[
-0.00021287,
-0.00007059,
-0.00296462
],
[
0.00006392,
0.00295616,
0.00031029
],
[
0.00295273,
0.00030511,
0.00016599
],
... | 0.000012 | 7.700379 | pbe | true | 3f81fa63c227fc550e71e824cc155cbf_148_Li1Co6S8 |
[
"Co",
"Mg",
"Mo"
] | 4 | A2BC | CoMg2Mo | Mg2 Co1 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
5.40569058,
-0.0096991,
-0.03354197
],
[
-2.40252629,
4.73570794,
-0.00776623
],
[
0.60063096,
0.71699914,
2.47957129
]
] | agm004325269 | [
[
1.501582145,
2.36300442,
-0.020654099999999998
],
[
0,
0,
0
],
[
3.00316077,
0.35365002,
1.22301466
],
[
-0.9009476649999999,
2.72635354,
1.23590253
]
] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Mg", "attached"... | [
"Co",
"Mg",
"Mg",
"Mo"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.6114122,
0.05839038,
0.20192465
],
[
0.05839109,
1.6684343,
-0.01662221
],
[
0.20192708,
-0.01662221,
1.6157575
]
] | -19.718906 | [
1.608,
-0.007,
-0.007,
0.267
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.796461 | 3.036859 | pbe | true | 74493153173355296633e269b84bb8d4_12_Mg2Co1Mo1 |
[
"Co",
"Mg",
"Pb"
] | 4 | A2BC | Co2MgPb | Mg1 Co2 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
3.20956607,
0,
0
],
[
0,
3.18473217,
0.49990409
],
[
0,
2.25720466,
6.41406422
]
] | agm003794343 | [
[
0,
3.1841196113495047,
0.5059338629681268
],
[
0,
2.7215809736504957,
3.450954382031873
],
[
1.604783035,
1.3604842075,
1.7284920775000001
],
[
1.604783035,
4.0814526225000005,
5.1854762325
]
] | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Mg", "attached"... | [
"Co",
"Co",
"Mg",
"Pb"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
5.0268507,
0.00512277,
0.00101598
],
[
0.00512291,
5.090617,
-0.14484024
],
[
0.00101586,
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5.2283173
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] | -18.135128 | [
0.355,
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-0.019
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[
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[
0,
0,
0
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[
0,
0,
0
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] | 0.603142 | 2.61256 | pbe | true | af547e82e44131a0a842d24616008126_47_Mg1Co2Pb1 |
[
"Cs",
"Eu",
"Sr"
] | 3 | ABC | CsEuSr | Cs1 Sr1 Eu1 | 3 | [
1,
1,
1
] | 3 | [
[
4.29482918,
0,
0
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[
0,
4.29482918,
0
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[
-2.14741459,
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10.3371782
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] | agm003156648 | [
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2.14741459,
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[
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[
2.1474145886059276e-8,
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0.32659745978099003
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] | [{"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Eu", "attached"... | [
"Eu",
"Cs",
"Sr"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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0.3333333333333333
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0,
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[
0,
0,
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] | -12.262836 | [
6.992,
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[
0,
0,
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[
0,
0,
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]
] | 7.480044 | 3.843161 | pbe | true | b8775ec7deb0d5999935b46fa7a56164_107_Cs1Sr1Eu1 |
[
"Co",
"Mn",
"Zn"
] | 30 | A12B2C | CoMn2Zn12 | Mn4 Zn24 Co2 | 3 | [
1,
1,
1
] | 3 | [
[
4.87693989,
1.09724356,
0
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[
1.09724356,
4.87693892,
0
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[
0.00000102,
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19.85593812
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] | agm005784410 | [
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[
... | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Zn", "attached"... | [
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"Zn",
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"Co",
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] | 2023-11-16 06:57:59 | [
0.06666666666666667,
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0.8
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[
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[
2.6e-7,
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] | -78.999681 | [
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[
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... | 14.56541 | 16.598896 | pbe | true | 967d3711e9c89dbd914f133a01cfb849_47_Mn4Zn24Co2 |
[
"Co",
"Mo",
"Tl"
] | 4 | A2BC | Co2MoTl | Tl1 Co2 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
4.70494621,
-0.01083957,
0.01509838
],
[
3.79236862,
2.78470404,
0.01509838
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0.9529802,
0.31109097,
4.54584925
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] | agm003985644 | [
[
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[
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0.7795714513594332,
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1.9436852068716994
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[
7.081651160031684,
2.3117350517435193,
3.5673739173507686
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Co", "attached"... | [
"Co",
"Co",
"Mo",
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] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
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[
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0.13118356,
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[
0.14290431,
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] | -25.375241 | [
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0.05,
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[
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0.00996663
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[
-0.00231937,
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-0.00117193
]
] | 0.179302 | 3.815367 | pbe | true | 520f7e7466afde17f8588c8a716aa376_8_Tl1Co2Mo1 |
[
"Co",
"Nd",
"Pu"
] | 3 | ABC | CoNdPu | Co1 Nd1 Pu1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.317588504,
3.317588504
],
[
3.317588504,
0,
3.317588504
],
[
3.317588504,
3.317588504,
0
]
] | oqmd-6988381 | [
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0,
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0
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[
1.65879,
1.65879,
1.65879
],
[
4.976380000000001,
4.976380000000001,
4.976380000000001
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pu", "attached"... | [
"Co",
"Nd",
"Pu"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
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0
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[
0,
10.37450462,
0
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[
0,
0,
10.37450462
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] | -25.6383 | [
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0.211,
5.412
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 5.56081 | null | pbe | true | fb2d1f4d092845d4084c331a181932c4_216_Nd1Pu1Co1 |
[
"Co",
"Nd",
"Pt"
] | 16 | A5B2C | Co2Nd5Pt | Nd10 Co4 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
6.75592276,
0,
-3.18915104
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[
-1.50544649,
6.58605462,
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[
0.07257877,
0.09104061,
8.90422731
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] | agm005911588 | [
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4.571427584475723,
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[
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[
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3.29302731,
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[
1.2410448756513632,
0.3076728587207322,
5.714541645... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pt", "attached"... | [
"Nd",
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"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Co",
"Co",
"Co",
"Co",
"Pt",
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] | 2023-11-16 06:57:59 | [
0.25,
0.625,
0.125
] | [
[
1.5628346,
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[
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1.5570064,
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],
[
-0.0215292,
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1.5273899
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] | -93.521737 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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0
] | [
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[
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[
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[
-0.00028901,
-0.0... | -0.0001 | 16.664215 | pbe | true | b805265e8a225f802be45ae81ebab530_140_Nd10Co4Pt2 |
[
"Co",
"Ni",
"Pt"
] | 9 | A4B3C2 | Co3Ni4Pt2 | Co3 Ni4 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
3.64363666,
0,
0
],
[
-1.82181833,
3.98932599,
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],
[
0,
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7.67963307
]
] | agm005644214 | [
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0,
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[
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[
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],
[
1.82181650818167,
3.31365582... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pt", "attached"... | [
"Co",
"Co",
"Co",
"Ni",
"Ni",
"Ni",
"Ni",
"Pt",
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] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.4444444444444444,
0.2222222222222222
] | [
[
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0
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[
0,
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0.12751547
],
[
0,
0.12751684,
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]
] | -57.044422 | [
1.76,
1.777,
1.76,
0.704,
0.726,
0.726,
0.704,
0.34,
0.34
] | [
[
0,
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[
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[
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[
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[
0,
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[
0,
0.00568231,
0.00411043
],
[... | 8.545054 | 11.740485 | pbe | true | 111bdb146986d01f04dc64ee43ac130e_12_Co3Ni4Pt2 |
[
"Co",
"Ni",
"Rh"
] | 7 | A3B2C2 | Co2Ni3Rh2 | Co2 Ni3 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
2.56219734,
0.00000106,
9.8e-7
],
[
-1.28109862,
4.30446895,
-4.26070223
],
[
0.00000204,
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10.33744566
]
] | agm005550750 | [
[
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[
1.281101342442867,
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[
1.2811001222865106,
1.0499456607937099,
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],
[
6.37713489524... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rh", "attached"... | [
"Co",
"Co",
"Ni",
"Ni",
"Ni",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.42857142857142855,
0.2857142857142857
] | [
[
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[
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0.13033973
],
[
-0.0000033,
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]
] | -45.461499 | [
1.903,
1.903,
0.733,
0.771,
0.771,
0.667,
0.667
] | [
[
0,
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[
0,
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[
0,
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[
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[
0,
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[
0,
0.00341699,
-0.00042165
],
[
0,
-0.00341699,
0.00042165
]
] | 7.177177 | 9.277205 | pbe | true | e6b7e9c004bb0da7cf497fa8088dc811_12_Co2Ni3Rh2 |
[
"Co",
"O",
"Sr"
] | 12 | A2BC | CoO2Sr | Co1 O2 Sr1 | 3 | [
1,
1,
1
] | 3 | [
[
3.793999994,
0,
0
],
[
-1.896999997,
3.285700377,
0
],
[
0,
0,
17.743903466
]
] | oqmd-8895095 | [
[
1.2595900000000002,
2.18168,
0
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[
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1.10402,
5.91463
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[
1.27481,
0,
11.82927
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[
1.2472199999999998,
2.1900300000000006,
1.73521
],
[
3.1442199999999993,
1.09567,
4.17942
],
[
-0.62399,
1.11056,
7.6... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sr", "attached": ... | [
"Co",
"Co",
"Co",
"O",
"O",
"O",
"O",
"O",
"O",
"Sr",
"Sr",
"Sr"
] | 2024-11-01 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
28.74589482,
0,
0
],
[
0,
28.74589482,
0
],
[
0,
0,
22.702201
]
] | -71.7505 | [
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2.579,
0.173,
0.17,
0.17,
0.172,
0.172,
0.173,
0.017,
0.017,
0.017
] | [
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0
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[
0.000561,
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0
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[
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[
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[
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[
-0.006116,
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0.01579
],
[
-0.000041,
-0.007085,
-0.01... | 9.00243 | null | pbe | true | 050faa2e2254835186aad56023755877_154_Sr3Co3O6 |
[
"Co",
"Np",
"Pu"
] | 12 | A9B2C | Co9NpPu2 | Pu2 Np1 Co9 | 3 | [
1,
1,
1
] | 3 | [
[
4.6200128,
-1e-8,
1.37498673
],
[
2.10539792,
4.11239853,
1.37498671
],
[
-0.08071821,
-0.04935743,
8.72043592
]
] | agm005946885 | [
[
5.758019952235021,
3.52086619545242,
6.000441754652566
],
[
0.8866725577649791,
0.5421748945475806,
5.469967605347434
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[
0,
0,
0
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[
4.40396592623266,
2.692900132248857,
10.55014117780126
],
[
2.2407265837673402,
1.3701409577511434,
0.... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Pu", "attached"... | [
"Pu",
"Pu",
"Np",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co"
] | 2023-11-16 06:57:59 | [
0.75,
0.08333333333333333,
0.16666666666666666
] | [
[
4.0281754,
0.00897085,
-0.04929513
],
[
0.00897085,
4.018991,
-0.03014284
],
[
-0.04929513,
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4.1791425
]
] | -105.858927 | [
4.933,
4.933,
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0.593,
0.593,
-0.97,
-1.112,
-1.112,
-1.112,
-1.112,
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] | [
[
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0.0045766
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[
0.00136207,
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[
0,
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0
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[
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[
0.0010414,
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],
[
0,
0,
0
],
[
0.00088365,
0.00054033... | 0.835896 | 29.302883 | pbe | true | 40d71566974f171acf8be87629907fe8_166_Pu2Np1Co9 |
[
"Co",
"Pd",
"Pt"
] | 8 | A4B3C | Co4PdPt3 | Co4 Pd1 Pt3 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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4.80589822,
0.8322334
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[
-3.11326032,
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4.68184505
]
] | agm003559037 | [
[
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[
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[
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3.2922418873817194,
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],
... | [{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pd", "attached"... | [
"Co",
"Co",
"Co",
"Co",
"Pd",
"Pt",
"Pt",
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] | 2023-11-16 06:57:59 | [
0.5,
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0.375
] | [
[
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[
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[
-0.09493348,
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] | -50.224669 | [
1.949,
1.949,
1.91,
1.91,
0.253,
0.346,
0.317,
0.346
] | [
[
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[
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[
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[
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0.0003537... | 8.891503 | 9.228249 | pbe | true | 97c126e3416470e040b0f22bd2fed393_44_Co4Pd1Pt3 |
[
"Co",
"Pm",
"Y"
] | 3 | ABC | CoPmY | Pm1 Y1 Co1 | 3 | [
1,
1,
1
] | 3 | [
[
6.25114247,
0,
0
],
[
0,
3.93497495,
0
],
[
0,
-1.96748748,
3.40778827
]
] | agm001262672 | [
[
4.803685367646099,
1.9674874930082082,
1.135929411974039
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[
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0,
0
],
[
1.4569653400964693,
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2.271858858025961
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
"Co",
"Pm"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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] | [
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[
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] | -18.365576 | [
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0,
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[
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[
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0,
0
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] | -0.000002 | 2.736816 | pbe | true | 1177229f6f2f574cb755194ac458a71f_156_Pm1Y1Co1 |
[
"Co",
"Rb",
"Tl"
] | 5 | A3BC | Co3RbTl | Rb1 Tl1 Co3 | 3 | [
1,
1,
1
] | 3 | [
[
5.09917866,
0,
0
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[
0,
5.09917866,
0
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[
0,
0,
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] | agm002452411 | [
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[
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[
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Rb", "attached"... | [
"Tl",
"Co",
"Co",
"Co",
"Rb"
] | 2023-11-16 06:57:59 | [
0.6,
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0.2
] | [
[
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[
0,
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[
0,
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] | -17.370166 | [
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[
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 5.692801 | 8.143947 | pbe | true | 0027936299acc861810b8c14953db01b_221_Rb1Tl1Co3 |
[
"Co",
"Re",
"V"
] | 12 | A9B2C | Co9ReV2 | V2 Co9 Re1 | 3 | [
1,
1,
1
] | 3 | [
[
4.47264163,
0.00038727,
1.04310519
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[
2.11516904,
3.94089007,
1.04310415
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[
0.48209127,
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] | agm005893534 | [
[
1.1872565087209979,
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5.882645431279002,
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[
4.385380472722971,
2.6236388245905293,
1.4132614126846248
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[
... | [{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "V", "attached":... | [
"V",
"V",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Re"
] | 2023-11-16 06:57:59 | [
0.75,
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] | [
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[
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[
0.14095175,
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4.1699405
]
] | -92.700528 | [
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0.685,
0.685,
0.45,
0.788,
0.792,
0.792,
0.788,
0.792,
0.792,
0.115
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0,
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[
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[
... | 4.92857 | 19.019436 | pbe | true | 1c06dfbeb7b944cbb0fa065334c957c1_166_V2Co9Re1 |
[
"Co",
"Rh",
"Sr"
] | 4 | A2BC | Co2RhSr | Sr1 Co2 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
3.0844366,
0,
0
],
[
0,
3.0844366,
0
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[
0,
0,
7.16814595
]
] | agm004020242 | [
[
0,
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0.5984869991820511
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[
1.5422183,
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[
0,
0,
3.137530312423451
],
[
1.5422183,
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5.372892900367857
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sr", "attached"... | [
"Co",
"Co",
"Rh",
"Sr"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0,
0
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[
0,
4.8266034,
0
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[
0,
0,
4.3914986
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] | -21.953472 | [
1.645,
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0.4,
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] | [
[
0,
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[
0,
0,
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[
0,
0,
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[
0,
0,
0.00518485
]
] | 3.634962 | 3.717788 | pbe | true | 8f61f758a0c422eb6b953db5ecf3296f_99_Sr1Co2Rh1 |
[
"Co",
"Ru",
"Ta"
] | 4 | A2BC | CoRu2Ta | Ta1 Co1 Ru2 | 3 | [
1,
1,
1
] | 3 | [
[
4.61400308,
-0.00025329,
0.00408417
],
[
3.76426595,
2.66820657,
0.00408417
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[
0.85616976,
0.27263638,
4.62459769
]
] | agm004016747 | [
[
6.9258290925,
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[
0.8907459225114287,
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[
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2.4208628552086253
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[
2.3086096975,
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]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ru", "attached"... | [
"Co",
"Ru",
"Ru",
"Ta"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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[
0.13500181,
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[
-0.1919878,
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5.6140265
]
] | -37.692973 | [
0.837,
0.06,
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[
0,
0,
0
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[
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[
0.00104724,
0.00033348,
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[
0,
0,
0
]
] | 0.900982 | 4.363345 | pbe | true | b7359b0e4b20931e330a0bf923de5440_12_Ta1Co1Ru2 |
[
"Co",
"S",
"Ti"
] | 11 | A7B2C2 | Co2S2Ti7 | Ti7 Co2 S2 | 3 | [
1,
1,
1
] | 3 | [
[
3.19941014,
0,
0
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[
1.59970507,
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[
1.59970507,
3.27530391,
6.72695193
]
] | agm003319952 | [
[
3.1994101240029496,
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[
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[
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4.484459021240538,
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[
3.1... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ti", "attached": ... | [
"Ti",
"Ti",
"Ti",
"Ti",
"Ti",
"Ti",
"Ti",
"Co",
"Co",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.18181818181818182,
0.18181818181818182,
0.6363636363636364
] | [
[
3.0594013,
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0
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[
0,
3.0183785,
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],
[
0,
0.00967755,
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]
] | -84.530239 | [
0,
0,
0,
0,
0,
0,
0,
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0,
0
] | [
[
0,
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8.2e-7
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[
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[
0,
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[
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[
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],
[
0,
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[
0,
-0.00322663,
-0.... | 0.000032 | 10.623961 | pbe | true | f27414eac905436b78825637ab51bed1_44_Ti7Co2S2 |
[
"Co",
"Si",
"Sr"
] | 10 | A2B2C | Co2Si2Sr | Sr2 Co4 Si4 | 3 | [
1,
1,
1
] | 3 | [
[
4.25296135,
-0.0538329,
0
],
[
-0.80947894,
4.17556241,
0
],
[
0,
0,
10.42642705
]
] | agm002240009 | [
[
2.7249689390892304,
3.261691592888552,
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[
0.7185134709107691,
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[
2.3984013466788756,
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4.580881482377297
],
[
1.0450810633211245,
1.2509259880848782,
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],
[
... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Si", "attached"... | [
"Sr",
"Sr",
"Si",
"Si",
"Si",
"Si",
"Co",
"Co",
"Co",
"Co"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
1.1349354,
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0
],
[
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1.1144468,
0
],
[
0,
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]
] | -58.111347 | [
0,
0,
0,
0,
0,
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0,
0,
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] | [
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[
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[
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[
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[
-0.00006027,
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-0.002010... | -0.000003 | 3.899647 | pbe | true | 5ec8dcd8eda486f54d60bb83c3201d60_63_Sr2Co4Si4 |
[
"Co",
"Si",
"Zn"
] | 4 | A2BC | Co2SiZn | Co2 Si1 Zn1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
2.848125,
2.848125
],
[
2.848125,
0,
2.848125
],
[
2.848125,
2.848125,
0
]
] | oqmd-2192770 | [
[
2.84813,
2.84813,
2.84813
],
[
4.272190000000003,
4.272190000000003,
4.272190000000003
],
[
0,
0,
0
],
[
1.424060000000003,
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1.424060000000003
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Zn", "attached"... | [
"Co",
"Co",
"Si",
"Zn"
] | 2024-11-01 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
11.43325,
0,
0
],
[
0,
11.43325,
0
],
[
0,
0,
11.43325
]
] | -20.7042 | [
0.095,
0.066,
0,
-0.001
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.108424 | null | pbe | true | 11027ecfd36201147842b7ecafc8a96b_216_Zn1Co2Si1 |
[
"Co",
"Sm",
"Th"
] | 10 | A2B2C | Co2Sm2Th | Sm4 Th2 Co4 | 3 | [
1,
1,
1
] | 3 | [
[
6.22652296,
0,
0
],
[
-3.11326148,
5.32218731,
0.35667217
],
[
0,
-1.81954128,
6.9507565
]
] | agm003406891 | [
[
2.4772307211050704,
1.372468677028901,
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[
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],
[
0.6360307588949301,
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6.155159075301866
],
[
3.74928601237197,
0.4626980370289009,
4.627647844698133
],
... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sm", "attached"... | [
"Sm",
"Sm",
"Sm",
"Sm",
"Th",
"Th",
"Co",
"Co",
"Co",
"Co"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
1.048907,
0,
0
],
[
0,
1.1160806,
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],
[
0,
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0.90029466
]
] | -64.261411 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00099014,
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[
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[
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[
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[
-0.00139903,
0,
0
],
[
0.00139903,
0,
0
],
[
0.0... | 0.000098 | 9.043924 | pbe | true | 62e44a1bacabe5a4ab5aae466f9ac207_15_Sm4Th2Co4 |
[
"Co",
"Sn",
"Tb"
] | 12 | ABC | CoSnTb | Co1 Sn1 Tb1 | 3 | [
1,
1,
1
] | 3 | [
[
7.345638,
0,
0
],
[
0,
4.586064,
0
],
[
0,
0,
7.258519
]
] | oqmd-2014510 | [
[
2.557799999999998,
3.439550000000002,
0.43406999999999984
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[
6.230610000000003,
3.439550000000002,
3.195189999999997
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[
1.115020000000003,
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[
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],
[
... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Tb", "attached"... | [
"Co",
"Co",
"Co",
"Co",
"Sn",
"Sn",
"Sn",
"Sn",
"Tb",
"Tb",
"Tb",
"Tb"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
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0.3333333333333333
] | [
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0
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[
0,
1.2371,
0
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[
0,
0,
0.70834
]
] | -68.8394 | [
0.198,
0.234,
0.236,
0.198,
-0.002,
0.002,
0.001,
-0.002,
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] | [
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[
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[
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[
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[
0.017806,
0,
0.004912
],
[
0.... | 0.775161 | null | pbe | true | 97d6fdea80a6d3a357b04f35719bbcaf_62_Tb4Co4Sn4 |
[
"Co",
"Sr",
"Tl"
] | 5 | A3BC | Co3SrTl | Sr1 Tl1 Co3 | 3 | [
1,
1,
1
] | 3 | [
[
4.853929,
0,
0
],
[
0,
4.853929,
0
],
[
0,
0,
4.853929
]
] | agm002452711 | [
[
0,
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[
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2.4269645
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[
0,
2.4269645,
0
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[
0,
0,
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[
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
"Tl",
"Co",
"Co",
"Co"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
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0,
0
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[
0,
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[
0,
0,
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] | -15.517255 | [
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1.388,
1.332,
1.575
] | [
[
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[
0,
0,
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | 3.97988 | 13.568122 | pbe | true | 46b91e592137dd656c3fd0579ffdaa11_221_Sr1Tl1Co3 |
[
"Co",
"Sr",
"W"
] | 4 | A2BC | CoSrW2 | Sr1 Co1 W2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.22504532,
3.22504532
],
[
3.22504532,
0,
3.22504532
],
[
3.22504532,
3.22504532,
0
]
] | agm002664161 | [
[
3.22504532,
3.22504532,
3.22504532
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[
0,
0,
0
],
[
1.61252266,
1.61252266,
1.61252266
],
[
4.83756798,
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4.83756798
]
] | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sr", "attached": ... | [
"Sr",
"Co",
"W",
"W"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0,
0
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[
0,
2.8241098,
0
],
[
0,
0,
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]
] | -28.539133 | [
0,
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0,
0
] | [
[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 | 4.340856 | pbe | true | 1ba31724a65dc76529438113d133a677_225_Sr1Co1W2 |
[
"Co",
"Sr",
"Zr"
] | 5 | A2B2C | Co2SrZr2 | Sr1 Zr2 Co2 | 3 | [
1,
1,
1
] | 3 | [
[
4.44884892,
0,
0
],
[
0,
4.44884892,
0
],
[
2.22442446,
2.22442446,
5.34360033
]
] | agm002917627 | [
[
0,
0,
0
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[
2.22442446,
2.22442446,
1.21714925236641
],
[
4.44884892,
4.44884892,
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],
[
4.44884892,
2.22442446,
2.671800165
],
[
2.22442446,
4.44884892,
2.671800165
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
"Co",
"Co",
"Zr",
"Zr"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
0.5556394,
0,
0
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[
0,
0.5556394,
0
],
[
0,
0,
5.996748
]
] | -33.070973 | [
0,
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0,
0,
0
] | [
[
0,
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0
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[
0,
0,
0.04671952
],
[
0,
0,
-0.04671952
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.590586 | pbe | true | b472a76d29b729087d87cf7b34fd48b4_139_Sr1Zr2Co2 |
[
"Co",
"Tb",
"Tm"
] | 4 | A2BC | Co2TbTm | Tb1 Tm1 Co2 | 3 | [
1,
1,
1
] | 3 | [
[
3.33096744,
0,
0
],
[
0,
4.69158685,
0
],
[
0,
0,
4.69158685
]
] | agm001202385 | [
[
0,
0,
2.345793425
],
[
0,
2.345793425,
0
],
[
1.66548372,
0,
0
],
[
1.66548372,
2.345793425,
2.345793425
]
] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Tm", "attached"... | [
"Co",
"Co",
"Tm",
"Tb"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.3139154,
0,
0
],
[
0,
1.1044042,
0
],
[
0,
0,
1.1044042
]
] | -23.98648 | [
0.64,
0.64,
-0.239,
-0.213
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.742216 | 1.567838 | pbe | true | 85f9bfcd83d86d0a71bd741bbd48f1b3_123_Tb1Tm1Co2 |
[
"Co",
"Tc",
"Te"
] | 3 | ABC | CoTcTe | Co1 Tc1 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
4.20626481,
0,
0
],
[
2.10313241,
3.64273218,
0
],
[
2.10313241,
1.21424406,
3.43440084
]
] | agm004089395 | [
[
0,
0,
0
],
[
4.206264815000001,
2.42848812,
1.71720042
],
[
6.309397222500001,
3.64273218,
2.57580063
]
] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Te", "attached"... | [
"Co",
"Tc",
"Te"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
2.9977992,
0,
0
],
[
0,
2.9977992,
0
],
[
0,
0,
2.9977992
]
] | -19.163018 | [
0.217,
0.24,
-0.011
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.484893 | 5.133989 | pbe | true | d68e15f04045240bd9b3badcc896729b_216_Co1Tc1Te1 |
[
"Co",
"Te",
"Tm"
] | 10 | A3BC | CoTe3Tm | Tm2 Co2 Te6 | 3 | [
1,
1,
1
] | 3 | [
[
17.46292564,
1.8e-7,
0
],
[
-1.3e-7,
3.29568494,
0
],
[
0,
0,
19.72610744
]
] | agm2000087090 | [
[
17.462924123106898,
3.0385976691367733,
10.374556222923912
],
[
8.731460844219121,
1.3907552739210147,
10.374556025662837
],
[
17.462925410507946,
1.3908502137336058,
8.15918968841289
],
[
8.731462874766457,
3.0386925937336096,
8.159189885673964
],
[... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Tm", "attached"... | [
"Tm",
"Tm",
"Co",
"Co",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
0.09876042,
0,
0
],
[
0,
0.01648045,
0.00484551
],
[
0,
0.00484552,
-0.02632418
]
] | -43.826508 | [
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1.553,
1.553,
0.046,
0.046,
0.046,
0.046,
-0.035,
-0.035
] | [
[
0,
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],
[
0,
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[
0,
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[
0,
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[
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0.00029247
],
[
0.00162214,
0.00031142,
0.00029247
],
[
-0.... | 3.265211 | 9.627128 | pbe | true | 3398386b72cc26f67c2ec0ef7fbbbc6c_35_Tm2Co2Te6 |
[
"Co",
"Ti",
"W"
] | 8 | A4B3C | Co3Ti4W | Ti4 Co3 W1 | 3 | [
1,
1,
1
] | 3 | [
[
3.05620302,
0,
0
],
[
0,
3.05620302,
0
],
[
0,
0,
11.9063507
]
] | agm005980674 | [
[
1.52810151,
1.52810151,
3.1437891531976354
],
[
1.52810151,
1.52810151,
5.95317535
],
[
1.52810151,
1.52810151,
8.762561546802367
],
[
1.52810151,
1.52810151,
0
],
[
0,
0,
10.307989555961907
],
[
0,
0,
1.5983611440380943
... | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ti", "attached": ... | [
"Co",
"Co",
"Co",
"W",
"Ti",
"Ti",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
0.375,
0.5,
0.125
] | [
[
4.6351047,
0,
0
],
[
0,
4.6351047,
0
],
[
0,
0,
4.583437
]
] | -68.142919 | [
0,
0.002,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
-0.00498709
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[
0,
0,
0
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
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[
0,
0,
0.00324183
],
[
0,
0,
-0.0026086
],
[
0,
0,
0.0026086
]
] | 0.001633 | 7.052122 | pbe | true | 8b1f26691c82e6c37ee6f63bef854196_123_Ti4Co3W1 |
[
"Cr",
"Cs",
"S"
] | 10 | A2B2C | CrCs2S2 | Cs4 Cr2 S4 | 3 | [
1,
1,
1
] | 3 | [
[
6.00584408,
-2e-8,
-2.58242045
],
[
-1.3873074,
6.38942637,
-3.22641347
],
[
0.12911206,
0.19828461,
8.57527606
]
] | agm005908800 | [
[
4.248748705238646,
4.543965548602391,
1.606167051887667
],
[
0.4989000347613541,
2.043745411397609,
1.160275088112333
],
[
2.564572705418086,
6.3603704231827916,
-2.3106640059170718
],
[
2.183076034581914,
0.22734053681720778,
5.077106145917073
],
[
... | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Cs", "attached": ... | [
"Cs",
"Cs",
"Cs",
"Cs",
"Cr",
"Cr",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
0.605509,
-0.01649057,
-0.01149318
],
[
-0.01649057,
0.6317826,
-0.03835151
],
[
-0.01149318,
-0.03835151,
0.58372194
]
] | -47.61338 | [
0.018,
0.018,
0.018,
0.018,
3.468,
3.468,
-0.044,
-0.044,
-0.044,
-0.044
] | [
[
-0.00070397,
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-0.00163719
],
[
0.00070397,
0.00182018,
0.00163719
],
[
0.0009843,
0.00052904,
0.00228916
],
[
-0.0009843,
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-0.00228916
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00232297,
-0.00357... | 7.999998 | 5.28899 | pbe | true | 8cb7d1d752d9a268e4ae87c4bca2998d_72_Cs4Cr2S4 |
[
"Cr",
"Cu",
"N"
] | 6 | ABC | CrCuN | Cr2 Cu2 N2 | 3 | [
1,
1,
1
] | 3 | [
[
3.78809043,
0,
0
],
[
0,
3.78809043,
0
],
[
0,
0,
4.51654223
]
] | agm003270300 | [
[
0,
0,
2.258271115
],
[
1.894045215,
1.894045215,
2.258271115
],
[
0,
1.894045215,
4.434024100149454
],
[
1.894045215,
0,
0.08251812985054599
],
[
0,
1.894045215,
1.8444620381498826
],
[
1.894045215,
0,
2.672080191850117
... | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "N", "attached":... | [
"Cr",
"Cr",
"Cu",
"Cu",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
-0.7584377,
0,
0
],
[
0,
-0.7584377,
0
],
[
0,
0,
-1.1910373
]
] | -44.156618 | [
1.631,
1.631,
0.03,
0.03,
-0.075,
-0.075
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.02474168
],
[
0,
0,
0.02474168
],
[
0,
0,
0.00520345
],
[
0,
0,
-0.00520345
]
] | 3.24877 | 3.096682 | pbe | true | 66073482d08766a46e6a201312a9d76f_129_Cr2Cu2N2 |
[
"Cr",
"Cu",
"Sr"
] | 4 | A2BC | CrCu2Sr | Sr1 Cr1 Cu2 | 3 | [
1,
1,
1
] | 3 | [
[
4.30751091,
-0.01655591,
0.05785582
],
[
2.16765086,
3.7223936,
0.05785582
],
[
2.08511151,
1.19334236,
5.50508648
]
] | agm004065420 | [
[
6.406347985871848,
3.6664544717857126,
5.1284013624933715
],
[
6.472923445807728,
3.704556661618439,
0.24553402465889562
],
[
2.1522941511453575,
1.2317920492242622,
0.42042486049825517
],
[
4.284006086323952,
2.4518045704381635,
2.7525485172986124
]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Sr", "attached"... | [
"Cr",
"Cu",
"Cu",
"Sr"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
-2.6585023,
-0.04956474,
0.01192065
],
[
-0.04956474,
-2.6002653,
0.00682238
],
[
0.01192097,
0.00682256,
-2.4718742
]
] | -18.453513 | [
3.535,
0.059,
0.045,
0.018
] | [
[
0.00310143,
0.001775,
-0.0004164
],
[
0.00197147,
0.0011283,
-0.00104961
],
[
-0.00669832,
-0.00383355,
0.0052585
],
[
0.00162542,
0.00093025,
-0.00379249
]
] | 4.048258 | 2.549641 | pbe | true | 17c587ac472ece23932de4d37e8db3f9_160_Sr1Cr1Cu2 |
[
"Cr",
"Cu",
"Ti"
] | 10 | A2B2C | Cr2CuTi2 | Ti4 Cr4 Cu2 | 3 | [
1,
1,
1
] | 3 | [
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... | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ti", "attached"... | [
"Cr",
"Cr",
"Cr",
"Cr",
"Cu",
"Cu",
"Ti",
"Ti",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
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[
-0.01069039... | 0.000003 | 10.015991 | pbe | true | 590cf0e164ae99c768be289c8be3edf2_127_Ti4Cr4Cu2 |