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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"In",
"Ru",
"Sm"
] | 4 | A2BC | InRuSm2 | Sm2 In1 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
3.42539458,
0,
0
],
[
0,
3.42539458,
0
],
[
0,
0,
8.56178205
]
] | agm005657611 | [
[
0,
0,
6.8312679838640005
],
[
0,
0,
1.730514066135999
],
[
1.71269729,
1.71269729,
4.280891025
],
[
1.71269729,
1.71269729,
0
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sm", "attached"... | [
"Sm",
"Sm",
"In",
"Ru"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
11.577712,
0,
0
],
[
0,
11.577712,
0
],
[
0,
0,
-13.808443
]
] | -22.886747 | [
0,
0,
0,
0
] | [
[
0,
0,
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],
[
0,
0,
0.04937061
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 4.198187 | pbe | true | 9a2c2d6b603a609a254c9f358e0222ed_123_Sm2In1Ru1 |
[
"In",
"Ru",
"Ta"
] | 3 | ABC | InRuTa | Ta1 In1 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
4.52534244,
0,
0
],
[
-2.26267122,
3.91906151,
0
],
[
0,
0,
2.97743446
]
] | agm004335612 | [
[
0,
0,
0.1416216700899
],
[
2.2626712426267126,
1.3063538236031282,
1.042481386150204
],
[
-2.2626712218278146e-8,
2.6127076863968717,
1.7933314037598962
]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ru", "attached"... | [
"In",
"Ru",
"Ta"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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0.3333333333333333
] | [
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0
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[
0,
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0
],
[
0,
0,
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]
] | -23.605315 | [
0,
0,
0
] | [
[
0,
0,
0.00098815
],
[
0,
0,
-0.00069753
],
[
0,
0,
-0.00029062
]
] | 0 | 3.342778 | pbe | true | 8fdc6dd98bffdf51ec003e56a6ef5710_156_Ta1In1Ru1 |
[
"In",
"Ru",
"Ta"
] | 5 | A3BC | In3RuTa | Ta1 In3 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
5.31097423,
0,
0
],
[
0,
5.31097423,
0
],
[
0,
0,
5.31097423
]
] | agm002580064 | [
[
2.655487115,
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2.655487115
],
[
0,
2.655487115,
0
],
[
0,
0,
2.655487115
],
[
2.655487115,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ru", "attached"... | [
"Ru",
"In",
"In",
"In",
"Ta"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
3.5722773,
0,
0
],
[
0,
3.5722773,
0
],
[
0,
0,
3.5722773
]
] | -21.877474 | [
2.249,
-0.036,
-0.024,
-0.002,
-0.08
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.171973 | 7.616361 | pbe | true | eff0b45c378c9d9d19cb2af523f9c1a6_221_Ta1In3Ru1 |
[
"In",
"Ru",
"Tb"
] | 4 | A2BC | In2RuTb | Tb1 In2 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
3.35513509,
0,
0
],
[
0,
3.35513509,
0
],
[
0,
0,
7.57760791
]
] | agm001121822 | [
[
1.677567545,
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0
],
[
1.677567545,
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3.788803955
],
[
0,
0,
6.044559245128091
],
[
0,
0,
1.533048664871909
]
] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "In", "attached"... | [
"Ru",
"Tb",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
4.477664,
0,
0
],
[
0,
4.477664,
0
],
[
0,
0,
4.6735926
]
] | -20.097827 | [
0.009,
0.246,
-0.001,
-0.001
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.01303641
],
[
0,
0,
-0.01303641
]
] | 0.313919 | 2.506606 | pbe | true | 4c078ccb11790b8911068b1ce8a6ec6a_123_Tb1In2Ru1 |
[
"In",
"Ru",
"Te"
] | 4 | A2BC | In2RuTe | In2 Te1 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
4.34962189,
0,
0
],
[
0,
4.07873405,
0.01178209
],
[
0,
2.01837632,
5.16874006
]
] | agm004310142 | [
[
0,
5.852338989032547,
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],
[
2.174810945,
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1.7206035425322261
],
[
0,
3.7996049211400416,
2.4414046555518056
],
[
2.174810945,
3.816744977979683,
3.9612173903559995
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Te", "attached"... | [
"In",
"In",
"Ru",
"Te"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
4.5726886,
0,
0
],
[
0,
4.5920057,
-0.01200294
],
[
0,
-0.0120028,
4.688523
]
] | -17.256 | [
0,
0,
0,
0
] | [
[
0,
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0.0024226
],
[
0,
0.00128586,
-0.00028777
],
[
0,
0.00207902,
-0.00180183
],
[
0,
0.00030175,
-0.000333
]
] | -0.000003 | 1.849557 | pbe | true | 51944f11fa6b890c96d6233be9bb756a_6_In2Te1Ru1 |
[
"In",
"S",
"Sr"
] | 14 | A4B2C | In2S4Sr | Sr2 In4 S8 | 3 | [
1,
1,
1
] | 3 | [
[
3.97614237,
0,
0
],
[
-1.98807119,
6.49474698,
0
],
[
0,
0,
12.62436137
]
] | agm003449971 | [
[
1.988071183945926,
1.3691887856393041,
9.4682710275
],
[
-3.94592610078541e-9,
5.125558194360696,
3.1560903425
],
[
-2.1267504102224065e-8,
1.801372955514981,
5.4657462911726515
],
[
1.988071201267504,
4.693374024485019,
11.777926976172651
],
[
-... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sr", "attached": ... | [
"Sr",
"Sr",
"In",
"In",
"In",
"In",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.5714285714285714,
0.14285714285714285
] | [
[
1.4182293,
0,
0
],
[
0,
1.4160095,
0
],
[
0,
0,
1.4211411
]
] | -61.142369 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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0
],
[
0,
0.00058753,
0
],
[
0,
0.0043729,
-0.00032947
],
[
0,
-0.0043729,
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],
[
0,
0.0043729,
0.00032947
],
[
0,
-0.0043729,
0.00032947
],
[
0,
0.00412523,
0.00154505
],
[
... | -0.000001 | -0.086126 | pbe | true | 21c15c8c0f156d0121fbb0c184c0e1f2_63_Sr2In4S8 |
[
"In",
"S",
"Tl"
] | 5 | A2B2C | InS2Tl2 | Tl2 In1 S2 | 3 | [
1,
1,
1
] | 3 | [
[
5.38429607,
0,
0
],
[
0,
5.38429607,
0
],
[
2.69214803,
2.69214803,
4.88274627
]
] | agm002942236 | [
[
2.692148060380759,
2.692148060380759,
1.5045901873094476
],
[
5.384296039619241,
5.384296039619241,
3.378156082690553
],
[
5.3842960675,
2.6921480325,
2.441373135
],
[
2.6921480325,
5.3842960675,
2.441373135
],
[
0,
0,
0
]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "In", "attached": ... | [
"Tl",
"Tl",
"S",
"S",
"In"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
3.1745446,
0,
0
],
[
0,
3.1745446,
0
],
[
0,
0,
3.247524
]
] | -16.117111 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
-0.00739142
],
[
0,
0,
0.00739142
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 0.999172 | pbe | true | 0ddbfe2b7ab384290cd046634f747da2_139_Tl2In1S2 |
[
"In",
"S",
"Tm"
] | 14 | A4B2C | In2S4Tm | Tm2 In4 S8 | 3 | [
1,
1,
1
] | 3 | [
[
8.06873616,
0,
0
],
[
4.03436808,
6.85380729,
0.1054676
],
[
4.03436808,
2.33078172,
6.44618138
]
] | agm003453815 | [
[
2.01718404,
3.426903645,
0.0527338
],
[
6.05155212,
3.426903645,
0.0527338
],
[
4.03436808,
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],
[
4.03436808,
0,
0
],
[
8.06873616,
4.592294505,
3.2758244899999998
],
[
12.10310424,
6.79134... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tm", "attached": ... | [
"Tm",
"Tm",
"In",
"In",
"In",
"In",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.5714285714285714,
0.14285714285714285
] | [
[
1.2230824,
0,
0
],
[
0,
1.1228348,
-0.05632953
],
[
0,
-0.05632953,
1.1616201
]
] | -67.119969 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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,
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[
0,
0.00157754,
0.00142475
],
[
0,
0.00186068,
0.00102783
],
[
0.0032... | 0.000003 | 4.154022 | pbe | true | 4e6f43e8fca95e0e7176e630c976be1d_74_Tm2In4S8 |
[
"In",
"Sc",
"Tb"
] | 12 | A3B2C | In2ScTb3 | Tb6 Sc2 In4 | 3 | [
1,
1,
1
] | 3 | [
[
6.47292574,
0,
0
],
[
0,
6.45805503,
0
],
[
-3.23646287,
-3.22902751,
8.21684991
]
] | agm003423288 | [
[
1.612530955853183,
3.229027549043378,
2.8809970920596433
],
[
1.623931914146817,
-2.9043378326246034e-8,
5.335852817940357
],
[
-1.6239319141468171,
3.229027485956621,
5.335852817940357
],
[
4.860394784146817,
3.404337829585868e-8,
2.8809970920596433
]... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "In", "attached"... | [
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Sc",
"Sc",
"In",
"In",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.16666666666666666,
0.5
] | [
[
2.1021407,
0,
0
],
[
0,
2.0838583,
0
],
[
0,
0,
2.0503707
]
] | -54.840123 | [
0.181,
0.181,
0.181,
0.181,
0.32,
0.32,
0.343,
0.343,
0.009,
0.009,
0.009,
0.009
] | [
[
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0,
0.00088983
],
[
0.00442237,
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],
[
-0.00442237,
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[
0.00442237,
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0,
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],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0... | 3.339039 | 11.950392 | pbe | true | 1b90e305ffcb53cff3ac174e29d97f63_72_Tb6Sc2In4 |
[
"In",
"Se",
"Yb"
] | 5 | A3BC | InSe3Yb | Yb1 In1 Se3 | 3 | [
1,
1,
1
] | 3 | [
[
9.1045424,
-0.49638058,
0
],
[
-2.1042932,
3.05926384,
0
],
[
0,
0,
18.84248502
]
] | agm2000059707 | [
[
5.807126334384064,
0.48167950666458514,
9.42124251
],
[
0.2870232879418721,
1.1938844548335077,
9.42124251
],
[
7.951929681416533,
-0.2945356129571394,
11.342485028114318
],
[
7.951929807674125,
-0.29453579651296985,
7.499999991885684
],
[
2.8564... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Yb", "attached"... | [
"Yb",
"In",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
0.68745357,
-0.05755267,
0
],
[
-0.05755267,
0.72114044,
0
],
[
0,
0,
-0.27985677
]
] | -18.785494 | [
0.321,
-0.001,
0.025,
0.025,
0.014
] | [
[
0.00991729,
0.01071187,
0
],
[
-0.00458174,
-0.00648761,
0
],
[
-0.00451863,
-0.00311553,
-0.01327483
],
[
-0.00451863,
-0.00311553,
0.01327483
],
[
0.00370171,
0.0020068,
0
]
] | 0.429013 | 13.840325 | pbe | true | 8a55e06c85b433341c987a9c560f6ce3_38_Yb1In1Se3 |
[
"In",
"Si",
"Te"
] | 4 | A2BC | In2SiTe | In2 Si1 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
5.91168942,
0.01290794,
-0.00566788
],
[
4.78132449,
3.47666141,
-0.00566788
],
[
2.52041149,
0.82251372,
5.23477478
]
] | agm004295633 | [
[
2.5634770813428265,
0.8365677901855584,
5.1766321722429165
],
[
10.450272019083869,
3.410352704713675,
4.008346194788084
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[
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2.0478902554656777
],
[
2.913066165209394,
0.950653059804214,
1.8370647397377133
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Si", "attached"... | [
"In",
"In",
"Si",
"Te"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
2.8291423,
-0.0253805,
-0.01133344
],
[
-0.0253805,
2.8986325,
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],
[
-0.0113336,
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2.7013984
]
] | -13.353372 | [
0,
0,
0,
0
] | [
[
0.00226157,
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[
0.00006207,
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[
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[
-0.00095765,
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0.00470891
]
] | 0 | 1.484569 | pbe | true | c66be123076058eaac84877f63529d3f_8_In2Si1Te1 |
[
"In",
"Si",
"Tl"
] | 5 | A3BC | InSi3Tl | Tl1 In1 Si3 | 3 | [
1,
1,
1
] | 3 | [
[
5.20912019,
0,
0
],
[
0,
5.20912019,
0
],
[
0,
0,
5.20912019
]
] | agm002604715 | [
[
2.604560095,
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2.604560095
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[
0,
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[
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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": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "In", "attached"... | [
"Tl",
"Si",
"Si",
"Si",
"In"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
1.2321429,
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0
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[
0,
1.2321429,
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[
0,
0,
1.2321429
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] | -15.639092 | [
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[
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 4.695104 | pbe | true | 6f939c05c48cdb4871000b08e7608990_221_Tl1In1Si3 |
[
"In",
"Si",
"Y"
] | 4 | A2BC | InSiY2 | Y2 In1 Si1 | 3 | [
1,
1,
1
] | 3 | [
[
3.32914095,
0.00254765,
0
],
[
-0.00238659,
3.32914107,
0
],
[
0,
0,
8.66290769
]
] | agm004074281 | [
[
1.6633771800000001,
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2.1657269225
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[
1.6633771800000001,
1.66584436,
6.497180767500001
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[
0,
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[
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Y", "attached":... | [
"In",
"Si",
"Y",
"Y"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.4224036,
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0
],
[
0.00011719,
2.4224038,
0
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[
0,
0,
2.493761
]
] | -23.062442 | [
0.003,
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0.1,
0.1
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[
0,
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[
0,
0,
0
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[
0,
0,
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],
[
0,
0,
0.00252618
]
] | 0.323761 | 3.376238 | pbe | true | e24d259f248ec3c3a4529fe163ecd561_123_Y2In1Si1 |
[
"In",
"Sr",
"Tl"
] | 4 | A2BC | InSr2Tl | Sr2 Tl1 In1 | 3 | [
1,
1,
1
] | 3 | [
[
6.89141012,
-0.00248325,
0.01063156
],
[
3.33152753,
6.03261665,
-0.01063156
],
[
-4.55384327,
-3.96040893,
3.32705951
]
] | agm004355091 | [
[
2.229259389790869,
2.711561108651164,
1.658213975
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[
0.199387358090588,
0.117611239422928,
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[
3.5140501439787064,
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1.6688455350000002
],
[
4.837866415369213,
2.8536787423384276,
3.6620692626980755e-19
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sr", "attached"... | [
"In",
"Sr",
"Sr",
"Tl"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.4422047,
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[
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2.469528,
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],
[
-0.01085404,
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2.4980683
]
] | -9.811169 | [
0,
0,
0,
0
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[
0.00014392,
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0
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[
0.00416443,
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0
],
[
-0.00227672,
-0.00134295,
0
],
[
-0.00203163,
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0
]
] | 0.000014 | 2.75598 | pbe | true | c5479b190e0849bde69e676043c49996_44_Sr2Tl1In1 |
[
"Mg",
"Mo",
"Na",
"O"
] | 75 | A16B4C3D2 | Mg3Mo4Na2O16 | Na6 Mg9 Mo12 O48 | 4 | [
1,
1,
1
] | 3 | [
[
9.90977696,
0.00317911,
0.00766982
],
[
4.59471146,
9.37290296,
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],
[
2.6995295,
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12.15260747
]
] | agm003277057 | [
[
11.639173719153348,
3.6229901501752586,
9.742812695142554
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[
13.562974924584646,
4.4331355570991136,
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[
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[
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1.422215621001184,
9.106811677056621
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[
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Na", "attached": ... | [
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"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O... | 2023-11-16 06:57:59 | [
0.12,
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0.64
] | [
[
0.7449756,
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[
0.00291933,
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[
0.02404403,
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] | -495.183782 | [
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0.02... | [
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[
0.00038173,
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[
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0.00165515... | 0.344068 | 0 | pbe | true | 4cdf6bb41f8b798ebaafce1e321c39f0_1_Na6Mg9Mo12O48 |
[
"In",
"Te",
"Tl"
] | 10 | A2B2C | InTe2Tl2 | Tl4 In2 Te4 | 3 | [
1,
1,
1
] | 3 | [
[
6.82256966,
-0.00222545,
0
],
[
0.00225568,
6.94100125,
0
],
[
0,
0,
20.27700669
]
] | agm2000105387 | [
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3.409967328472994,
4.108874177377471,
12.146032853284922
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[
3.415274945262877,
4.109078455027999,
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12.146035083755658
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[
6.820124318472993,
0.637260827377471,
8.130973836715079
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[
... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "In", "attached"... | [
"Tl",
"Tl",
"Tl",
"Tl",
"In",
"In",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
3.1112096,
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0
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[
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0
],
[
0,
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] | -27.299567 | [
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0,
0,
0,
0,
0,
0,
0,
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0
] | [
[
0.00112542,
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[
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[
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[
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[
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0
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[
0,
0,
0
],
[
-0.00113506,
3.7e-7,
0.0268307... | 0.000075 | 4.890558 | pbe | true | 1f47042c2fbe867b35d3fc46a8f9f4a3_123_Tl4In2Te4 |
[
"In",
"Te",
"W"
] | 4 | A2BC | In2TeW | In2 Te1 W1 | 3 | [
1,
1,
1
] | 3 | [
[
5.3184053,
0.00053641,
0
],
[
1.31152867,
5.15415636,
0
],
[
-3.31496641,
-2.57734593,
3.26400382
]
] | agm004189538 | [
[
0,
0,
0
],
[
0.6557646225000002,
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1.63200191
],
[
3.314966985,
2.577346385,
0
],
[
2.6592029375,
0.000268432499999971,
1.63200191
]
] | [{"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": "Te", "attached": ... | [
"In",
"In",
"Te",
"W"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
4.5529265,
0.2675471,
7.5e-7
],
[
0.2675471,
4.4168234,
5.8e-7
],
[
7.5e-7,
5.8e-7,
4.2088113
]
] | -18.281756 | [
0.01,
-0.018,
-0.007,
1.265
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | 1.655506 | 2.642015 | pbe | true | b5f8b8a20dc5f9c12a25a64ae9e6eac3_119_In2Te1W1 |
[
"In",
"Te",
"Zr"
] | 5 | A3BC | InTeZr3 | Zr3 In1 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
5.26361908,
0,
0
],
[
0,
5.26361908,
0
],
[
0,
0,
5.26361908
]
] | agm002629366 | [
[
0,
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[
0,
2.63180954,
0
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[
0,
0,
2.63180954
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[
2.63180954,
0,
0
],
[
2.63180954,
2.63180954,
2.63180954
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Te", "attached"... | [
"Te",
"Zr",
"Zr",
"Zr",
"In"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
2.3540008,
0,
0
],
[
0,
2.3540008,
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],
[
0,
0,
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]
] | -29.162178 | [
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0
] | [
[
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[
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000002 | 7.855386 | pbe | true | 58f9ccd08dd61d3e765ce5bb1e493b39_221_Zr3In1Te1 |
[
"In",
"Tl",
"Tm"
] | 10 | A3BC | InTlTm3 | Tm6 Tl2 In2 | 3 | [
1,
1,
1
] | 3 | [
[
4.8422074,
0,
1.1065648
],
[
0,
4.96526893,
0
],
[
-0.02343636,
0,
11.25032425
]
] | agm005817702 | [
[
3.7178265443984353,
1.2413172325,
2.1065310768860273
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[
1.8213377790095608,
1.2413172325,
10.405438008932693
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[
2.7690631811943645,
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6.25833915353306
],
[
1.2946661865730393,
3.7239516974999995,
1.562326422582508
],
[
4.240350925... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "In", "attached"... | [
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tl",
"Tl",
"In",
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] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
1.9624097,
0,
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],
[
0,
2.152474,
0
],
[
-0.04621763,
0,
2.1540911
]
] | -40.132336 | [
-0.009,
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0.124,
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-0.009,
0.124,
0,
0,
-0.001,
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] | [
[
0.00191435,
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[
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0.00751764
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[
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[
0.00171797,
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[
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0,
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],
[
0.00011948,
0,
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[
-0.0018505,
0,
0.0... | 0.258918 | 7.814728 | pbe | true | 989de98e32c90969b6e7592464abd294_63_Tm6Tl2In2 |
[
"In",
"Tl",
"Zr"
] | 4 | A2BC | In2TlZr | Zr1 Tl1 In2 | 3 | [
1,
1,
1
] | 3 | [
[
3.29349125,
-0.0545448,
0
],
[
-1.35369744,
3.00292574,
0
],
[
0,
0,
10.41349803
]
] | agm004280892 | [
[
0,
0,
10.303818070268985
],
[
0.9698969050000001,
1.47419047,
2.5618761971755486
],
[
0,
0,
5.3085570991651965
],
[
0.9698969050000001,
1.47419047,
7.859493604255288
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Zr", "attached"... | [
"In",
"In",
"Tl",
"Zr"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
4.5084434,
0.18566631,
0
],
[
0.18566631,
4.668493,
0
],
[
0,
0,
4.652584
]
] | -16.084147 | [
0,
0,
0,
0
] | [
[
0,
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[
0,
0,
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],
[
0,
0,
0.00778327
],
[
0,
0,
-0.00089309
]
] | 0.000004 | 3.516 | pbe | true | 15e3058454c850531c2ed76b3f2f7fd6_35_Zr1Tl1In2 |
[
"In",
"Tm",
"Zr"
] | 4 | A2BC | InTm2Zr | Tm2 Zr1 In1 | 3 | [
1,
1,
1
] | 3 | [
[
5.22411172,
0,
0
],
[
2.61205586,
4.52421347,
0
],
[
2.61205586,
1.50807116,
4.26615967
]
] | agm005125793 | [
[
2.6120558861205585,
1.5080711750807008,
4.266145890304267
],
[
2.6120558861205585,
1.5080711725808025,
1.0666561703510076
],
[
5.224111693879441,
3.0161422999193377,
2.133142888839923
],
[
7.836164941823581,
4.5242119493479995,
3.199449959345134
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tm", "attached"... | [
"Tm",
"Tm",
"Zr",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.4616842,
0,
0
],
[
0,
2.4616842,
0
],
[
0,
0,
2.3064198
]
] | -20.405725 | [
0.068,
0.114,
0.159,
-0.002
] | [
[
0,
0,
-0.0004878
],
[
0,
0,
-0.00031981
],
[
0,
0,
-0.00021849
],
[
0,
0,
0.0010261
]
] | 0.461067 | 7.656603 | pbe | true | cff73116e70fc0206f5f091064596740_216_Tm2Zr1In1 |
[
"Ir",
"K",
"Mn"
] | 4 | A2BC | Ir2KMn | K1 Mn1 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
5.38506789,
0,
0
],
[
0,
5.38506789,
0
],
[
0,
0,
2.54717672
]
] | agm004334494 | [
[
0,
0,
0
],
[
2.692533945,
2.692533945,
0
],
[
2.692533945,
0,
1.27358836
],
[
0,
2.692533945,
1.27358836
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ir", "attached": ... | [
"Ir",
"Ir",
"K",
"Mn"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
2.796957,
0,
0
],
[
0,
2.796957,
0
],
[
0,
0,
2.6682985
]
] | -23.763723 | [
-0.001,
-0.001,
-0.006,
3.665
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.879433 | 3.571799 | pbe | true | e3eaf912550c12a46f0ddf8fcbe74f53_123_K1Mn1Ir2 |
[
"Ir",
"K",
"Os"
] | 6 | ABC | IrKOs | K2 Ir2 Os2 | 3 | [
1,
1,
1
] | 3 | [
[
4.88116128,
0.00153843,
0.02241699
],
[
-1.96392424,
4.47314858,
-0.0231114
],
[
1.90058203,
0.45502466,
6.34612472
]
] | agm003085808 | [
[
2.3696795512821596,
2.000038939701301,
5.48008002949124
],
[
4.5771480229535815,
3.74939993560025,
4.904555452790109
],
[
2.0323636008527073,
3.7613914603293286,
2.411556979156944
],
[
0.5640861034510919,
1.523094015675002,
2.4319778850363853
],
[
... | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ir", "attached": ... | [
"K",
"K",
"Ir",
"Ir",
"Os",
"Os"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
3.3769615,
1.133059,
0.14845325
],
[
1.1330594,
4.81271,
-0.14613777
],
[
0.14845407,
-0.1461379,
4.993581
]
] | -39.160176 | [
0,
0,
0,
0,
0,
0
] | [
[
0.00022451,
-0.0005764,
0.00090864
],
[
-0.00283183,
0.00104271,
0.00719578
],
[
0.00391724,
-0.00097333,
0.0391329
],
[
0.0011844,
-0.00367043,
0.03956978
],
[
-0.00471823,
0.0017976,
-0.0463834
],
[
0.00222391,
0.00237985,
... | 0 | 5.077991 | pbe | true | 7d0e6bd5577f83ce4e9d7a6c4c6b4086_1_K2Ir2Os2 |
[
"Ir",
"K",
"Re"
] | 4 | A2BC | IrKRe2 | K1 Re2 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
10.65017994,
-0.01390867,
-0.00812121
],
[
10.2904598,
2.74462444,
-0.00812121
],
[
10.2904598,
1.34190365,
2.3942272
]
] | agm003812218 | [
[
7.807774885000001,
1.018154855,
0.594496195
],
[
23.423324655000002,
3.054464565,
1.783488585
],
[
30.791556168183998,
4.015301781544862,
2.344517260004758
],
[
16.055093141816005,
2.0936273484551378,
1.222459909995242
]
] | [{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ir", "attached": ... | [
"Ir",
"K",
"Re",
"Re"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
8.57687,
0.04783112,
0.02792838
],
[
0.04783112,
8.216311,
0.00364194
],
[
0.02792838,
0.00364194,
8.2122
]
] | -31.969763 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00192174,
0.0002506,
0.00014632
],
[
-0.00192174,
-0.0002506,
-0.00014632
]
] | 0.000002 | 2.989299 | pbe | true | 0773ed409504ab067115d716bb2b87f8_166_K1Re2Ir1 |
[
"Ir",
"K",
"Se"
] | 8 | A4B3C | IrK3Se4 | K3 Ir1 Se4 | 3 | [
1,
1,
1
] | 3 | [
[
11.73612188,
0.00115329,
0
],
[
-0.00040446,
4.26887813,
0
],
[
0,
0,
19.18967363
]
] | agm2000078212 | [
[
8.20347192474925,
1.6078698962057003,
10.576417981375153
],
[
3.530726311345332,
1.6074334233704173,
10.582060321112584
],
[
0.002189774571187,
1.606065094471558,
6.9519367115474155
],
[
11.735604846910746,
3.7413605163179042,
9.757108149356535
],
[
... | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ir", "attached": ... | [
"K",
"K",
"K",
"Ir",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.125,
0.375,
0.5
] | [
[
0.3135481,
-0.00006009,
-0.00017734
],
[
-0.0000601,
0.28819513,
-0.00271914
],
[
-0.00017733,
-0.00271918,
-0.13163856
]
] | -29.933914 | [
0.002,
0.002,
0,
-0.001,
-0.002,
-0.002,
0.436,
0.006
] | [
[
-0.0007949,
-0.00027133,
-0.00115033
],
[
0.00102398,
-0.0003206,
-0.00142969
],
[
-0.00008055,
-0.00026616,
0.00158953
],
[
-0.00007841,
0.00016684,
-0.00341848
],
[
0.00114997,
0.0005214,
0.00104003
],
[
-0.00104033,
0.00051... | 0.794197 | 6.418726 | pbe | true | 3fc1988cab69896a3af06d8f0c9feefd_25_K3Ir1Se4 |
[
"Ir",
"K",
"Se"
] | 12 | A3B2C | Ir2KSe3 | K2 Ir4 Se6 | 3 | [
1,
1,
1
] | 3 | [
[
7.32473554,
0,
0
],
[
3.66236777,
6.34340706,
0
],
[
3.66236777,
2.11446901,
6.72107152
]
] | agm002155858 | [
[
3.662367733376322,
2.1144689948210837,
2.711432147384352
],
[
10.987103346623678,
6.343407075178916,
4.0096393726156485
],
[
0,
0,
0
],
[
3.66236777,
0,
0
],
[
5.493551655,
3.17170353,
0
],
[
1.831183885,
3.17170353,
0
]... | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ir", "attached": ... | [
"K",
"K",
"Ir",
"Ir",
"Ir",
"Ir",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.16666666666666666,
0.5
] | [
[
2.174529,
0,
0
],
[
0,
2.174529,
0
],
[
0,
0,
1.2466583
]
] | -61.6824 | [
0.002,
0.002,
0.232,
0.697,
0.657,
0.619,
0.058,
0.082,
0.082,
0.07,
0.058,
0.07
] | [
[
0,
0,
-0.00218092
],
[
0,
0,
0.00218092
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00916296,
-0.00529024,
-0.00004034
],
[
0,
-0.01058047,
0.00004034
],
[
0,
0.01... | 2.932337 | 14.520886 | pbe | true | ea506f83fcdf71eb996f104095341eb3_166_K2Ir4Se6 |
[
"Ir",
"K",
"Sn"
] | 5 | A2B2C | Ir2KSn2 | K1 Sn2 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
4.67731448,
0,
0
],
[
0,
4.67731448,
0
],
[
2.33865724,
2.33865724,
5.27595291
]
] | agm002927981 | [
[
0,
0,
0
],
[
2.3386572166134276,
2.3386572166134276,
1.2343349827042298
],
[
4.677314503386572,
4.677314503386572,
4.0416179272957695
],
[
4.67731448,
2.33865724,
2.637976455
],
[
2.33865724,
4.67731448,
2.637976455
]
] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ir", "attached": ... | [
"K",
"Ir",
"Ir",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
4.3466763,
0,
0
],
[
0,
4.3466763,
0
],
[
0,
0,
4.7011147
]
] | -27.179096 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0.00116276
],
[
0,
0,
-0.00116276
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000011 | 2.75079 | pbe | true | cee31eba74d8a20e079a2282661d912a_139_K1Sn2Ir2 |
[
"Ir",
"K",
"Ta"
] | 4 | A2BC | Ir2KTa | K1 Ta1 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
3.1021794,
0,
0
],
[
0,
3.13873953,
-0.00082288
],
[
0,
3.16293194,
8.37045168
]
] | agm004291385 | [
[
0,
3.1578506280443364,
7.809829920665201
],
[
0,
3.155917046955664,
4.7454361593348
],
[
1.5510897,
1.5754178675000001,
2.0924072000000002
],
[
1.5510897,
4.7262536025,
6.277221600000001
]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ir", "attached": ... | [
"Ir",
"Ir",
"K",
"Ta"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
3.89294,
0,
0
],
[
0,
3.7026792,
-0.0169926
],
[
0,
-0.0169927,
3.8984227
]
] | -30.814394 | [
0,
0,
0,
0
] | [
[
0,
-0.00039271,
0.00477577
],
[
0,
0.00039271,
-0.00477577
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 2.594634 | pbe | true | 36fab31b9b436b60bfce6c238afa0fce_47_K1Ta1Ir2 |
[
"Ir",
"La",
"Mg"
] | 4 | A2BC | IrLaMg2 | La1 Mg2 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
3.25600815,
0.0038809,
0
],
[
-0.00190988,
3.2560099,
0
],
[
0,
0,
8.2580261
]
] | agm004249370 | [
[
1.627049135,
1.6299454,
2.064506525
],
[
1.627049135,
1.6299454,
6.193519575
],
[
0,
0,
0.625368424995416
],
[
0,
0,
3.503644542424323
]
] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ir", "attached"... | [
"Ir",
"La",
"Mg",
"Mg"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.2961148,
-0.333556,
0
],
[
-0.333556,
1.2949283,
0
],
[
0,
0,
1.2684278
]
] | -17.810138 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00105721
],
[
0,
0,
-0.00105721
]
] | -0.000003 | 1.792831 | pbe | true | 90fd7034e3896282bb96680941ea857c_123_La1Mg2Ir1 |
[
"Ir",
"La",
"Na"
] | 10 | A3BC | IrLa3Na | Na2 La6 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
6.35564844,
0,
0
],
[
0,
6.35564844,
0
],
[
3.17782422,
3.17782422,
9.49288885
]
] | agm003113223 | [
[
6.355648408221758,
3.177824188221758,
8.353821453621897
],
[
6.355648471778242,
3.1778242517782425,
1.1390673963781026
],
[
0,
0,
0
],
[
3.17782422,
6.35564844,
4.746444425
],
[
4.753841831553718,
6.355648408221758,
2.230899981487487
],... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ir", "attached"... | [
"Na",
"Na",
"Ir",
"Ir",
"La",
"La",
"La",
"La",
"La",
"La"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
1.1410499,
0,
0
],
[
0,
1.1410499,
0
],
[
0,
0,
0.739833
]
] | -48.909016 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
-0.00224076
],
[
0,
0,
0.00224076
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.02331733,
0,
0.02214115
],
[
0,
0.02331733,
-0.02214115
],
[
0,
-0.02331733,
-0.02214115
],
[
0.02331733,
0,
0.02214... | -0 | 8.220174 | pbe | true | bf5812af7478dbf2cf0282c60e3c75f7_119_Na2La6Ir2 |
[
"Ir",
"La",
"Os"
] | 4 | A2BC | Ir2LaOs | La1 Ir2 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
5.00834464,
-0.0006621,
-0.0023286
],
[
-1.54883364,
4.76283853,
-0.0023286
],
[
0.0021215,
0.00292034,
2.9232112
]
] | agm003978313 | [
[
0,
0,
0
],
[
1.7297555,
2.3810882149999997,
-0.0023286
],
[
2.50523307,
0.00112912,
1.4604413
],
[
-0.77335607,
2.382879435,
1.4604413
]
] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ir", "attached"... | [
"Ir",
"Ir",
"La",
"Os"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
8.038514,
-0.06996335,
-0.12549277
],
[
-0.06996335,
7.993032,
-0.17274658
],
[
-0.12549274,
-0.17274654,
7.7572966
]
] | -33.433717 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000027 | 3.351262 | pbe | true | 830339957dc8065b4710cb69a0d0aefe_65_La1Ir2Os1 |
[
"Ir",
"La",
"W"
] | 4 | A2BC | IrLa2W | La2 Ir1 W1 | 3 | [
1,
1,
1
] | 3 | [
[
8.69936045,
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],
[
8.00308488,
3.42045604,
-0.1564053
],
[
8.00308488,
1.51214723,
3.072034
]
] | agm004154274 | [
[
6.1763825525,
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0.6898058499999999
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[
24.491049643592486,
4.627474702662222,
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1.403565842762632
],
[
18.529147657499998,
3.5009998875,
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] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Ir", "attached": ... | [
"Ir",
"La",
"La",
"W"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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[
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[
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]
] | -29.49805 | [
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[
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[
0,
0,
0
]
] | 1.618602 | 2.771124 | pbe | true | 6cdd3d8bda92e78dc3faef993b469d72_166_La2Ir1W1 |
[
"Ir",
"Li",
"Pa"
] | 4 | A2BC | Ir2LiPa | Li1 Pa1 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
4.63863222,
0,
0
],
[
2.31931611,
4.01717335,
0
],
[
2.31931611,
1.33905778,
3.78742735
]
] | agm001093027 | [
[
0,
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[
4.63863222,
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[
2.31931611,
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0.9468568375
],
[
6.95794833,
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]
] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ir", "attached"... | [
"Pa",
"Li",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0
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[
0,
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[
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] | -31.331906 | [
0,
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] | [
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[
0,
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0
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[
0,
0,
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[
0,
0,
0
]
] | -0.000012 | 3.611668 | pbe | true | 64d14c2c217c16585eb462808bbbdfb8_225_Li1Pa1Ir2 |
[
"Ir",
"Nb",
"Rh"
] | 12 | A3B2C | IrNb2Rh3 | Nb4 Ir2 Rh6 | 3 | [
1,
1,
1
] | 3 | [
[
7.88885143,
0,
0
],
[
0,
5.41093622,
0
],
[
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] | agm003423145 | [
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[
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1.3552446902... | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ir", "attached"... | [
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"Nb",
"Nb",
"Nb",
"Ir",
"Ir",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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] | [
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] | -101.819676 | [
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[
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[
0,
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[
0,
... | 0.00001 | 8.796575 | pbe | true | ee595893f740481ec9ffce45bc54f538_72_Nb4Ir2Rh6 |
[
"Ir",
"Li",
"Pt"
] | 4 | A2BC | Ir2LiPt | Li1 Ir2 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
4.70737683,
-0.00468434,
0
],
[
1.62864629,
4.41666501,
0
],
[
-3.16801055,
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]
] | agm004441567 | [
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0,
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0
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[
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0
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[
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1.34691661
],
[
2.35368892,
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]
] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pt", "attached"... | [
"Ir",
"Ir",
"Li",
"Pt"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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[
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[
0.00000176,
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]
] | -26.079482 | [
0,
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] | [
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0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000007 | 2.885884 | pbe | true | 2c6f5447621ce227919a577b5f790b71_139_Li1Ir2Pt1 |
[
"Ir",
"Li",
"Rh"
] | 14 | A3B3C | Ir3LiRh3 | Li2 Ir6 Rh6 | 3 | [
1,
1,
1
] | 3 | [
[
4.39240587,
0,
0
],
[
0,
6.20711442,
-3.5836195
],
[
0,
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]
] | agm005884515 | [
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[
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[
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[
3.2943044025,... | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ir", "attached"... | [
"Li",
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"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.42857142857142855,
0.14285714285714285,
0.42857142857142855
] | [
[
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0,
0
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[
0,
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],
[
0,
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]
] | -101.352346 | [
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0,
0,
0,
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[
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[
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[
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[
0,
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[
0,
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[
0,
-0.00... | -0 | 16.08169 | pbe | true | a1cf1b351ef9a3295b615e94c0a5e738_176_Li2Ir6Rh6 |
[
"Ir",
"Li",
"Ru"
] | 6 | ABC | IrLiRu | Li2 Ru2 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
14.09198005,
0,
-0.03815122
],
[
3.85270036,
2.31580505,
-1.24966962
],
[
-3.85270036,
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1.24966962
]
] | agm003094857 | [
[
9.648666171991184,
1.839972186346905,
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[
4.443313878008815,
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[
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],
[
1.083252362553822e-18,
1.1167148205993258,
1.6543730734045426e-... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ir", "attached"... | [
"Ru",
"Ru",
"Ir",
"Ir",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
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] | [
[
3.7190657,
0,
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[
0,
3.6159012,
0
],
[
-0.05962053,
0,
3.6754484
]
] | -39.838506 | [
0,
0,
0,
0,
0,
0
] | [
[
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[
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[
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[
0,
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[
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-0.00197968
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[
0.00197895,
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0.00197968
]
] | 0.000213 | 6.898513 | pbe | true | 3aab2f8d7f83a817cbc7d4dffe8154b5_5_Li2Ru2Ir2 |
[
"Ir",
"Li",
"W"
] | 5 | A3BC | IrLi3W | Li3 Ir1 W1 | 3 | [
1,
1,
1
] | 3 | [
[
4.42334224,
0,
0
],
[
0,
4.42334224,
0
],
[
0,
0,
4.42334224
]
] | agm002513484 | [
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[
0,
0,
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[
0,
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0
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[
0,
0,
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[
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] | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ir", "attached": ... | [
"Ir",
"W",
"Li",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
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0,
0
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[
0,
-1.6358458,
0
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[
0,
0,
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] | -16.46831 | [
0,
0,
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] | [
[
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[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000005 | 10.30737 | pbe | true | ed7dbe6b3ced48c407e3d2a4ef6ed8e4_221_Li3Ir1W1 |
[
"Ir",
"Li",
"Zn"
] | 18 | A4B3C2 | Ir3Li4Zn2 | Li8 Zn4 Ir6 | 3 | [
1,
1,
1
] | 3 | [
[
5.11289989,
-0.00010317,
0.00033916
],
[
0.00014215,
6.39689882,
3.69506008
],
[
-0.00023198,
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7.3874026
]
] | agm005671668 | [
[
2.556589776231318,
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[
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[
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],
[
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0.9990557988867862,
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],
[... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Zn", "attached"... | [
"Li",
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"Zn",
"Zn",
"Zn",
"Zn",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
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] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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0.2222222222222222
] | [
[
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[
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[
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] | -77.004285 | [
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] | [
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[
-0.00118379,
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[
0.0011836,
-0.0021968... | -0.000001 | 6.427576 | pbe | true | 646e989bf90fae0bae3f481e463d81b4_66_Li8Zn4Ir6 |
[
"Ir",
"Mg",
"Rb"
] | 5 | A3BC | Ir3MgRb | Rb1 Mg1 Ir3 | 3 | [
1,
1,
1
] | 3 | [
[
4.86939135,
0,
0
],
[
0,
4.86939135,
0
],
[
0,
0,
4.86939135
]
] | agm002523249 | [
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[
0,
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0
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[
0,
0,
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[
2.434695675,
0,
0
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[
0,
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0
]
] | [{"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ir", "attached"... | [
"Mg",
"Ir",
"Ir",
"Ir",
"Rb"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
4.167846,
0,
0
],
[
0,
4.167846,
0
],
[
0,
0,
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]
] | -15.024784 | [
-0.006,
0.463,
0.373,
0.341,
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] | [
[
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[
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | 1.107544 | 6.124987 | pbe | true | 73363d6a2495042dfe9876d477a2cbbd_221_Rb1Mg1Ir3 |
[
"Ir",
"Mg",
"Tc"
] | 6 | ABC | IrMgTc | Mg2 Tc2 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
2.83946877,
-0.00195067,
0.00339346
],
[
-1.39259521,
4.97573407,
0.00748638
],
[
1.39522104,
-0.92910549,
6.69969079
]
] | agm003101906 | [
[
2.2669445292262074,
0.4156155706774811,
5.022951402937642
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[
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[
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0.5857230504086646
],
[
2.293230417693277,
3.0942256031365503,
4.752151289997384
],
[... | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ir", "attached"... | [
"Mg",
"Mg",
"Ir",
"Ir",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
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] | [
[
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[
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1.0049697
],
[
-0.01291003,
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]
] | -41.81385 | [
0,
0,
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0,
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0
] | [
[
0.00478466,
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[
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[
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[
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[
0.00324776,
0.00986091,
0.00921047
],
[
-0.00399243,
-0.013152... | 0 | 3.504429 | pbe | true | 4d09352b548dab9a037b6cb19c42667a_1_Mg2Tc2Ir2 |
[
"Ir",
"Mg",
"Y"
] | 11 | A4B4C3 | Ir4Mg4Y3 | Y3 Mg4 Ir4 | 3 | [
1,
1,
1
] | 3 | [
[
3.86931704,
-1e-8,
-0.96250163
],
[
-0.94942193,
6.75819885,
-3.81673481
],
[
0.04142201,
0.24046294,
8.42521799
]
] | agm005700353 | [
[
0.34778544119980537,
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[
2.6135316788001943,
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[
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],
[
1.1632741712463415,
1.0695445080366368,
4.676443184930725
],
[
2.1621769822... | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
"Y",
"Y",
"Mg",
"Mg",
"Mg",
"Mg",
"Ir",
"Ir",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.36363636363636365,
0.36363636363636365,
0.2727272727272727
] | [
[
1.1001673,
0.00535205,
0.0081677
],
[
0.00535205,
1.1078079,
0.02151568
],
[
0.0081677,
0.02151568,
1.1309701
]
] | -66.907576 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00098008,
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-0.00393998
],
[
0.00098008,
0.00236281,
0.00393998
],
[
0,
0,
0
],
[
0.00093073,
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0.00374158
],
[
-0.00312677,
0.00292498,
-0.01256981
],
[
-0.00093073,
-0.01270696,
-0.00374158
],
... | 0 | 3.976885 | pbe | true | 0f6aa9277f8ef9984512ac2f2df288da_71_Y3Mg4Ir4 |
[
"Ir",
"Mn",
"Rh"
] | 6 | A4BC | IrMnRh4 | Mn1 Ir1 Rh4 | 3 | [
1,
1,
1
] | 3 | [
[
3.93272121,
0,
0
],
[
1.96636061,
3.42246542,
0.17278297
],
[
1.9663606,
0.76216064,
7.25673854
]
] | agm003749591 | [
[
3.93272121,
2.09231303,
3.714760755
],
[
0,
0,
0
],
[
3.93272119259344,
2.216195079593005,
1.2697769732844468
],
[
3.9327212274065593,
1.9684309804069944,
6.159744536715553
],
[
1.966360602476057,
0.8999509968191449,
4.577859035859392
]... | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ir", "attached"... | [
"Mn",
"Ir",
"Rh",
"Rh",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.6666666666666666
] | [
[
11.094678,
3e-8,
0
],
[
3e-8,
11.241555,
-0.07144857
],
[
0,
-0.07144872,
11.128295
]
] | -45.092391 | [
2.379,
-0.165,
-0.169,
-0.169,
-0.009,
-0.009
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
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0.00799558
],
[
0,
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],
[
0,
-0.00246723,
0.01248373
],
[
0,
0.00246723,
-0.01248373
]
] | 1.893098 | 6.746124 | pbe | true | 235c937f64a47ae5dc00fec4473fe0e7_12_Mn1Ir1Rh4 |
[
"Ir",
"Mn",
"Ru"
] | 8 | A4B3C | Ir4MnRu3 | Mn1 Ru3 Ir4 | 3 | [
1,
1,
1
] | 3 | [
[
2.66944516,
0,
-0.58760177
],
[
-0.05837483,
3.96617314,
-0.26519554
],
[
1.03458297,
-0.45711061,
11.05744192
]
] | agm006091179 | [
[
-0.029187415,
1.98308657,
-0.13259777
],
[
0.7311064641810425,
0.6304483131416618,
3.321381236408977
],
[
2.9145468358189577,
2.878614216858338,
6.883263373591024
],
[
1.33472258,
0,
-0.293800885
],
[
1.8753709751126642,
0.9839417053409523,
... | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ir", "attached"... | [
"Ru",
"Ru",
"Ru",
"Mn",
"Ir",
"Ir",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.5,
0.125,
0.375
] | [
[
5.667373,
0.01597296,
-0.01595913
],
[
0.01597285,
5.558748,
0.07256169
],
[
-0.01595913,
0.07256222,
5.5983877
]
] | -70.511432 | [
-0.041,
-0.048,
-0.048,
2.879,
-0.052,
-0.052,
-0.014,
-0.014
] | [
[
0,
0,
0
],
[
-0.00058107,
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],
[
0.00058107,
0.00251578,
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],
[
0,
0,
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],
[
-0.00019316,
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],
[
0.00019316,
0.00029632,
0.00087752
],
[
0.00019153,
0.0037... | 2.737278 | 8.202166 | pbe | true | f6d333a933a9e58096b04eff08287562_12_Mn1Ru3Ir4 |
[
"Ir",
"Mn",
"V"
] | 4 | A2BC | IrMnV2 | Mn1 V2 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
4.2137137,
0,
0
],
[
2.10685685,
3.64918311,
0
],
[
2.10685685,
1.21639437,
3.44048283
]
] | agm001100088 | [
[
4.2137137,
2.43278874,
1.720241415
],
[
0,
0,
0
],
[
2.10685685,
1.21639437,
0.8601207075
],
[
6.320570549999999,
3.64918311,
2.5803621225
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "V", "attached":... | [
"Ir",
"Mn",
"V",
"V"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
5.305019,
0,
0
],
[
0,
5.305019,
0
],
[
0,
0,
5.305019
]
] | -37.279251 | [
0.008,
-1.363,
0.732,
0.732
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.240724 | 5.675943 | pbe | true | 3783752ea65c041ee39f36774f302b91_225_Mn1V2Ir1 |
[
"Ir",
"Mo",
"Rh"
] | 4 | A2BC | IrMo2Rh | Mo2 Ir1 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
4.78090068,
0.00370551,
0.01681859
],
[
3.97791933,
2.65201487,
0.01681859
],
[
0.77859819,
0.23607507,
4.76881511
]
] | agm004245132 | [
[
2.375645757331293,
0.7203083107394551,
1.1196771268887291
],
[
8.738655311094885,
2.649606336948054,
0.1436896631156002
],
[
7.167087164812326,
2.1730985911726672,
3.494855932048735
],
[
4.783559076761495,
1.4504003161398238,
2.4790928929469356
]
] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ir", "attached"... | [
"Ir",
"Mo",
"Mo",
"Rh"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
8.147067,
0.13979287,
0.10120624
],
[
0.13979287,
7.7284026,
0.03068627
],
[
0.10120618,
0.03068625,
7.6471767
]
] | -38.476757 | [
0,
0,
0,
0
] | [
[
-0.00080974,
-0.00024552,
0.00100629
],
[
0.00335191,
0.00101632,
0.00178161
],
[
-0.00198676,
-0.00060239,
-0.00013767
],
[
-0.00055541,
-0.0001684,
-0.00265023
]
] | 0.000002 | 3.769811 | pbe | true | 2d08578239dc86f8f0854ba9df2ff6fc_8_Mo2Ir1Rh1 |
[
"Ir",
"N",
"Na"
] | 5 | A2B2C | IrN2Na2 | Na2 Ir1 N2 | 3 | [
1,
1,
1
] | 3 | [
[
-1.54442845,
2.05376865,
6.23228752
],
[
1.54442845,
-2.05376865,
6.23228752
],
[
1.54442845,
2.05376865,
-6.23228752
]
] | agm005415926 | [
[
7.744467047915293e-17,
-7.105442511445399e-18,
10.507189654413315
],
[
-6.822594236620461e-18,
5.613062680620117e-18,
1.9573853855866847
],
[
0,
0,
6.23228752
],
[
-4.660729016093512e-17,
-5.323420776572618e-17,
4.439349142602292
],
[
4.660729016... | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "N", "attached":... | [
"Na",
"Na",
"Ir",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
0.19550617,
0,
0
],
[
0,
0.5455663,
0
],
[
0,
0,
0.29113656
]
] | -26.818366 | [
-0.001,
-0.001,
-0.032,
0.117,
0.117
] | [
[
0,
0,
0.00202688
],
[
0,
0,
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],
[
0,
0,
0
],
[
0,
0,
-0.00281194
],
[
0,
0,
0.00281194
]
] | 0.295246 | 1.309422 | pbe | true | ad48a0f2f5d45520aaf145da97b5fb35_71_Na2Ir1N2 |
[
"Ir",
"N",
"Rh"
] | 8 | A2BC | IrN2Rh | Ir2 Rh2 N4 | 3 | [
1,
1,
1
] | 3 | [
[
4.64210218,
0,
0
],
[
0,
4.64210218,
0
],
[
2.32105109,
2.32105109,
4.63546691
]
] | agm002858240 | [
[
0,
0,
0
],
[
4.64210218,
2.32105109,
2.317733455
],
[
2.32105109,
2.32105109,
0
],
[
2.32105109,
4.64210218,
2.317733455
],
[
3.5230792566982467,
1.160525545,
1.1588667275
],
[
1.1190229233017537,
3.4815766350000006,
1.158... | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "N", "attached":... | [
"Ir",
"Ir",
"Rh",
"Rh",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
-0.36203992,
0,
0
],
[
0,
-0.36203992,
0
],
[
0,
0,
0.33668274
]
] | -60.844103 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00389866,
0,
0
],
[
-0.00389866,
0,
0
],
[
0,
-0.00389866,
0
],
[
0,
0.00389866,
0
]
] | 0 | 5.385025 | pbe | true | 7833c97e4bb66dc6cbf50f521e549c82_122_Ir2Rh2N4 |
[
"Ir",
"N",
"Se"
] | 5 | A3BC | IrNSe3 | Ir1 Se3 N1 | 3 | [
1,
1,
1
] | 3 | [
[
4.85644279,
0,
0
],
[
0,
4.85644279,
0
],
[
0,
0,
4.85644279
]
] | agm002536765 | [
[
0,
0,
0
],
[
0,
2.428221395,
0
],
[
0,
0,
2.428221395
],
[
2.428221395,
0,
0
],
[
2.428221395,
2.428221395,
2.428221395
]
] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "N", "attached":... | [
"Ir",
"Se",
"Se",
"Se",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
0.24780896,
0,
0
],
[
0,
0.24780896,
0
],
[
0,
0,
0.24780896
]
] | -18.859674 | [
0,
-0.001,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000053 | 8.317452 | pbe | true | 9e34c616b85df9e61fee81b67913d595_221_Ir1Se3N1 |
[
"Ir",
"N",
"Ta"
] | 4 | A2BC | IrN2Ta | Ta1 Ir1 N2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
2.76576193,
2.76576193
],
[
2.76576193,
0,
2.76576193
],
[
2.76576193,
2.76576193,
0
]
] | agm002707476 | [
[
1.382880965,
1.382880965,
1.382880965
],
[
4.148642895,
4.148642895,
4.148642895
],
[
2.76576193,
2.76576193,
2.76576193
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "N", "attached":... | [
"N",
"N",
"Ir",
"Ta"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.3031318,
0,
0
],
[
0,
2.3031318,
0
],
[
0,
0,
2.3031318
]
] | -34.791852 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.338684 | pbe | true | 799ffe13748aa5874b65000b2a874343_225_Ta1Ir1N2 |
[
"Ir",
"Na",
"Sr"
] | 11 | A8B2C | IrNa2Sr8 | Na2 Sr8 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
6.52574102,
-0.19552851,
-2.46161946
],
[
-1.23116148,
7.29201888,
-3.84301497
],
[
0.30804432,
0.96354142,
10.76653015
]
] | agm005898254 | [
[
-0.6572106839526292,
5.970400921500248,
2.502299770041784
],
[
6.259834543952629,
2.089630868499752,
1.9595959499582163
],
[
5.006975971215746,
2.2230760510395244,
-1.8880639982919927
],
[
4.389185148619768,
5.8821755399713895,
-3.8164701563249395
],
... | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sr", "attached"... | [
"Na",
"Na",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Ir"
] | 2023-11-16 06:57:59 | [
0.09090909090909091,
0.18181818181818182,
0.7272727272727273
] | [
[
0.30774474,
0.01280192,
0.08587255
],
[
0.01280191,
0.4964658,
-0.01074655
],
[
0.08587252,
-0.01074656,
0.45206618
]
] | -25.411042 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00265701,
-0.00027786,
0.00032398
],
[
0.00265701,
0.00027786,
-0.00032398
],
[
0.00243988,
-0.00349022,
0.00001958
],
[
0.00142848,
0.00250017,
-0.00313746
],
[
-0.00243988,
0.00349022,
-0.00001958
],
[
0.00247005,
0.00005... | 0 | 8.285542 | pbe | true | 7004c61aa2b655837f5445f652cf9254_12_Na2Sr8Ir1 |
[
"Ir",
"Nb",
"Os"
] | 10 | A2B2C | Ir2Nb2Os | Nb4 Ir4 Os2 | 3 | [
1,
1,
1
] | 3 | [
[
7.37685175,
0,
0
],
[
0,
7.37685175,
0
],
[
0,
0,
3.03240196
]
] | agm003002868 | [
[
1.2711506926807625,
4.959576567680763,
1.51620098
],
[
4.959576567680763,
6.105701057319237,
1.51620098
],
[
6.105701057319237,
2.4172751823192375,
1.51620098
],
[
2.4172751823192375,
1.2711506926807625,
1.51620098
],
[
2.729399296000495,
6.4... | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ir", "attached"... | [
"Nb",
"Nb",
"Nb",
"Nb",
"Ir",
"Ir",
"Ir",
"Ir",
"Os",
"Os"
] | 2023-11-16 06:57:59 | [
0.4,
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[
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] | -99.40135 | [
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[
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[
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0.010... | 0.000001 | 11.752101 | pbe | true | 3172167554136cde4ac8a377a3c9be1d_127_Nb4Ir4Os2 |
[
"Ir",
"Ni",
"Rh"
] | 3 | ABC | IrNiRh | Ni1 Ir1 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
],
[
2.04706053,
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[
2.04706053,
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] | agm004237764 | [
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[
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] | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ir", "attached"... | [
"Ir",
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] | 2023-11-16 06:57:59 | [
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[
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] | 0.569566 | 6.573759 | pbe | true | 309a29205dfd85e0356fcfa1b48fb473_216_Ni1Ir1Rh1 |
[
"Ir",
"O",
"Rb"
] | 11 | A5B5C | IrO5Rb5 | Rb5 Ir1 O5 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
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[
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[
2.774824417570262e-8... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Rb", "attached": ... | [
"Rb",
"Rb",
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"Rb",
"Rb",
"Ir",
"O",
"O",
"O",
"O",
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] | 2023-11-16 06:57:59 | [
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[
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[
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0.001... | 3.227885 | 1.92295 | pbe | true | 4e41c40df2ec7e511e903c1cbb0d154f_12_Rb5Ir1O5 |
[
"Ir",
"O",
"Te"
] | 12 | ABC | IrOTe | Te4 Ir4 O4 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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[
0,
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] | agm001005125 | [
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... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ir", "attached": ... | [
"O",
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"Te",
"Te",
"Te",
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"Ir",
"Ir",
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] | 2023-11-16 06:57:59 | [
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[
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0.000... | 0 | 5.595089 | pbe | true | a2b68b6f185d78614a7e81bf1145a11f_14_Te4Ir4O4 |
[
"Ir",
"O",
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] | 27 | A6B2C | IrO6V2 | V6 Ir3 O18 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
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] | agm005819591 | [
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[
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1.498474... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "V", "attached": n... | [
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] | 2023-11-16 06:57:59 | [
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[
-0.... | 3.652561 | 16.524578 | pbe | true | 4db072045313c5ce48f336ae510b4df6_164_V6Ir3O18 |
[
"In",
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"Sr",
"Zn"
] | 5 | A2BCD | InPdSrZn2 | Sr1 Zn2 In1 Pd1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
],
[
0,
4.389483,
0
],
[
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5.86646316
]
] | agm005004616 | [
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[
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[
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2.... | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
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] | 2023-11-16 06:57:59 | [
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0.4
] | [
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[
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[
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]
] | -14.214772 | [
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[
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[
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[
0,
0,
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[
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0,
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] | -0.000017 | 2.834233 | pbe | true | 3420ef6fdc0d4d28ec6e4c0a695e6c98_44_Sr1Zn2In1Pd1 |
[
"Cd",
"Ni",
"Y"
] | 4 | A2BC | CdNi2Y | Y1 Cd1 Ni2 | 3 | [
1,
1,
1
] | 3 | [
[
3.86222609,
0,
0
],
[
0,
3.84846171,
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[
0,
1.93231148,
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]
] | agm003821729 | [
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[
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Y", "attached":... | [
"Cd",
"Ni",
"Ni",
"Y"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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[
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[
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] | -20.006243 | [
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[
0,
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[
0,
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]
] | -0.000001 | 2.628953 | pbe | true | 1d084e8409784d3320665149be458571_38_Y1Cd1Ni2 |
[
"Li",
"Ru",
"Si"
] | 4 | A2BC | Li2RuSi | Li2 Si1 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
2.60278847,
0,
0
],
[
0,
4.28198344,
0
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[
0,
0,
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[
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[
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] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Si", "attached"... | [
"Li",
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"Ru",
"Si"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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[
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[
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] | -18.807984 | [
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[
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[
0,
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] | -0.000084 | 2.32222 | pbe | true | f98cba41bd46c82a2f87f4ac4619cf90_47_Li2Si1Ru1 |
[
"Cd",
"Ni",
"Y"
] | 12 | A9B2C | Cd2Ni9Y | Y1 Cd2 Ni9 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
2.45105301,
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[
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[
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7... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
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"Cd",
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"Ni",
"Ni",
"Ni",
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"Ni",
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] | 2023-11-16 06:57:59 | [
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[
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] | -62.255919 | [
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... | 3.405565 | 13.425849 | pbe | true | db993c9fec4e26818d5e53f87494e798_166_Y1Cd2Ni9 |
[
"Cd",
"O",
"P"
] | 4 | A2BC | CdO2P | Cd1 P1 O2 | 3 | [
1,
1,
1
] | 3 | [
[
1.69149895,
0,
7.34699431
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[
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[
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] | agm002776189 | [
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[
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "P", "attached": n... | [
"P",
"O",
"O",
"Cd"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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[
0,
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[
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] | -18.522954 | [
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] | [
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[
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[
0,
0,
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[
0,
0,
0
]
] | 0 | 1.760769 | pbe | true | 036cad1ac697935642970d430280397b_166_Cd1P1O2 |
[
"Cd",
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"P"
] | 50 | A17B6C2 | Cd2O17P6 | Cd2 O17 P6 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
],
[
0,
18.137299429,
0
],
[
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0,
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] | oqmd-6943237 | [
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[
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[
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... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": n... | [
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"O",
"P",
"P",
"P",
"P",
"P",
"P",
"P",... | 2024-11-01 00:00:00 | [
0.08,
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0.24
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[
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[
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[
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[
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-0.02231... | null | null | pbe | true | 04f61459ea9ac66cded97e88078e2b1d_14_Cd4P12O34 |
[
"Dy",
"Tm",
"Zn"
] | 10 | A3BC | DyTmZn3 | Dy2 Tm2 Zn6 | 3 | [
1,
1,
1
] | 3 | [
[
3.55049588,
0,
-0.48885369
],
[
0,
4.45106827,
0
],
[
0.03698033,
0,
13.40645364
]
] | agm005895817 | [
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10.981990068352168
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[
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1.1127670675,
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[
2.2080... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Zn", "attached"... | [
"Dy",
"Dy",
"Tm",
"Tm",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
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0,
0.00224808
],
[
0,
1.983333,
0
],
[
0.00224808,
0,
1.7953151
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] | -29.21409 | [
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0,
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0,
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[
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[
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[
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[
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[
0.00011344,
0,
0.00082389
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[
0.00003582,
0,
... | 0.000001 | 9.451273 | pbe | true | 790db88d173f178cb59f74789ffee61e_63_Dy2Tm2Zn6 |
[
"Ba",
"Sc",
"Te"
] | 10 | A2B2C | BaSc2Te2 | Ba2 Sc4 Te4 | 3 | [
1,
1,
1
] | 3 | [
[
8.65276013,
0,
0
],
[
0,
8.65276013,
0
],
[
0,
0,
3.77862637
]
] | agm003014532 | [
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[
3.1253727191035368,
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[
3.1006010782377644,
... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Sc", "attached"... | [
"Sc",
"Sc",
"Sc",
"Sc",
"Te",
"Te",
"Te",
"Te",
"Ba",
"Ba"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
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0,
0
],
[
0,
0.16353121,
0
],
[
0,
0,
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] | -49.48451 | [
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0.001,
-0.001,
0,
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0,
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[
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[
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[
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0
],
[
0.01566312,
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0
],
[
-0.01566312,
-0.015... | 0 | 7.470264 | pbe | true | ffb8b48af658bcdf5c182e00592c6638_127_Ba2Sc4Te4 |
[
"Ba",
"Sr",
"Ta"
] | 3 | ABC | BaSrTa | Ba1 Sr1 Ta1 | 3 | [
1,
1,
1
] | 3 | [
[
5.73172358,
0,
0
],
[
2.86586179,
4.96381822,
0
],
[
2.86586179,
1.65460607,
4.6799327
]
] | agm003786102 | [
[
5.73172358,
3.309212145,
2.33996635
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[
8.59758537,
4.9638182175,
3.509949525
],
[
0,
0,
0
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Sr", "attached"... | [
"Ba",
"Sr",
"Ta"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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] | [
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[
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0
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[
0,
0,
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] | -10.241458 | [
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2.142
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 4.522699 | 5.45776 | pbe | true | 61076054fb90b00cb098237374b3fc2a_216_Ba1Sr1Ta1 |
[
"Ba",
"Tc",
"Zn"
] | 4 | A2BC | Ba2TcZn | Ba2 Tc1 Zn1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.789291114,
3.789291114
],
[
3.789291114,
0,
3.789291114
],
[
3.789291114,
3.789291114,
0
]
] | oqmd-5200925 | [
[
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1.8946500000000035
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[
3.78929,
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[
0,
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[
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Zn", "attached"... | [
"Ba",
"Ba",
"Tc",
"Zn"
] | 2024-11-01 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
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0,
0
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[
0,
5.08271045,
0
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[
0,
0,
5.08271045
]
] | -12.4847 | [
0.029,
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1.544,
-0.05
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.51971 | null | pbe | true | 7bf6a8783ff89737470b2e393acb3df8_216_Ba2Zn1Tc1 |
[
"In",
"Rb",
"S",
"Zr"
] | 12 | A3BCD | InRbS3Zr | In1 Rb1 S3 Zr1 | 4 | [
1,
1,
1
] | 3 | [
[
1.981075834,
-7.855661905,
0
],
[
1.981075834,
7.855661905,
0
],
[
0,
0,
10.223568612
]
] | oqmd-4875948 | [
[
1.9810800000000008,
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2.555889999999997
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[
1.9810800000000008,
7.3446900000000035,
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[
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[... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "S", "attached":... | [
"In",
"In",
"Rb",
"Rb",
"S",
"S",
"S",
"S",
"S",
"S",
"Zr",
"Zr"
] | 2024-11-01 00:00:00 | [
0.16666666666666666,
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0.5,
0.16666666666666666
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0,
0
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[
0,
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0
],
[
0,
0,
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] | -59.5707 | [
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0.009,
0.009,
0.031,
0.044,
0.029,
0.029,
0.044,
0.031,
0.932,
0.917
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[
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0
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[
0,
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0
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[
0,
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[
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[
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[
0,
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[
0,
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],
[
... | 3.58948 | null | pbe | true | 4585e097d3a162516d072d1d1e717f66_63_Rb2Zr2In2S6 |
[
"In",
"Rb",
"Sm",
"Te"
] | 12 | A3BCD | InRbSmTe3 | In1 Rb1 Sm1 Te3 | 4 | [
1,
1,
1
] | 3 | [
[
2.376212966,
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0
],
[
2.376212966,
8.185666933,
0
],
[
0,
0,
12.216530247
]
] | oqmd-7475209 | [
[
2.37621,
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3.05413
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[
2.37621,
7.520249999999999,
9.162400000000002
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[
2.37621,
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[
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[
2.3762100000000004,
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0
],
[
2.3762100000000004,
... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Sm", "attached"... | [
"In",
"In",
"Rb",
"Rb",
"Sm",
"Sm",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te"
] | 2024-11-01 00:00:00 | [
0.16666666666666666,
0.16666666666666666,
0.16666666666666666,
0.5
] | [
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0
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[
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0
],
[
0,
0,
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] | -46.6735 | [
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0,
0,
0,
0.001,
0.001,
0.001,
0,
0,
0
] | [
[
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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,
0.040048,
0
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[
0,
-0.008476,
0.011... | 0.017386 | null | pbe | true | c25549e39f83f4b662213c4d388f83e2_63_Rb2Sm2In2Te6 |
[
"Ba",
"Sr",
"Y"
] | 4 | A2BC | BaSr2Y | Ba1 Sr2 Y1 | 3 | [
1,
1,
1
] | 3 | [
[
6.46620118,
0,
0
],
[
3.23310059,
5.59989449,
0
],
[
3.23310059,
1.8666315,
5.27963116
]
] | agm003850943 | [
[
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2.63981558
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[
0,
0,
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[
3.23310059,
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1.31990779
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[
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3.95972337
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Y", "attached":... | [
"Ba",
"Sr",
"Sr",
"Y"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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0,
0
],
[
0,
1.0519419,
0
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[
0,
0,
1.0519419
]
] | -10.983893 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000012 | 4.381939 | pbe | true | 4c36ed2feb7c739fe91985424fa3aa7c_216_Ba1Sr2Y1 |
[
"Ba",
"Sr",
"Zn"
] | 4 | A2BC | BaSrZn2 | Ba1 Sr1 Zn2 | 3 | [
1,
1,
1
] | 3 | [
[
5.67741496,
0,
0
],
[
0,
4.00810867,
-0.00306688
],
[
0,
-0.00129093,
5.68332394
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] | agm003172467 | [
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[
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[
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[
0,
2.504713533360307,
2.129987138712946
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Zn", "attached"... | [
"Sr",
"Zn",
"Zn",
"Ba"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.4109168,
0,
0
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[
0,
1.2729254,
0.17679115
],
[
0,
0.17679133,
1.0345763
]
] | -6.780436 | [
0,
0,
0,
0
] | [
[
0,
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[
0,
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[
0,
-0.00292891,
0.00072745
],
[
0,
0.00170662,
0.00182963
]
] | 0.000026 | 3.6261 | pbe | true | e6142055ddb8857a35b419878d2e0f62_123_Ba1Sr1Zn2 |
[
"In",
"S",
"Sn",
"Tl"
] | 20 | A6B2CD | In2S6SnTl | Tl2 In4 Sn2 S12 | 4 | [
1,
1,
1
] | 3 | [
[
7.39697699,
0.01886861,
0.01958135
],
[
2.4012808,
8.70916164,
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],
[
2.4012808,
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8.67831227
]
] | agm004979274 | [
[
4.2505250475,
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[
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[
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4.224277866323911
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[
2.9719458830290257,
3.711562227482746,
2.2629203049467828
],
[
6.6704... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sn", "attached": ... | [
"Tl",
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"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.1,
0.1
] | [
[
1.7353318,
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-0.01425265
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[
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1.8373038,
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[
-0.01425261,
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1.8350677
]
] | -79.961092 | [
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0,
0,
0,
0,
0,
0,
0,
0,
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] | [
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[
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[
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[
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[
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[
-0.00293902,
0.00018736,
-0.00094262... | -0.000005 | 5.938859 | pbe | true | 73d5fd0429376da80ff1df16802066e1_15_Tl2In4Sn2S12 |
[
"In",
"S",
"Tb",
"Tl"
] | 12 | A3BCD | InS3TbTl | In1 S3 Tb1 Tl1 | 4 | [
1,
1,
1
] | 3 | [
[
2.020958685,
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0
],
[
2.020958685,
7.338636925,
0
],
[
0,
0,
10.994719214
]
] | oqmd-7486776 | [
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[
2.02096,
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[
2.02096,
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[
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[
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[
2.02096,
1.87... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tb", "attached": ... | [
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] | 2024-11-01 00:00:00 | [
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[
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... | 0.008278 | null | pbe | true | 72943b40d3d972382a34d7a826be3286_63_Tb2Tl2In2S6 |
[
"Er",
"Rh",
"Te"
] | 4 | A2BC | ErRh2Te | Er1 Te1 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.42352113,
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[
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] | agm001221198 | [
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] | [{"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Er", "attached"... | [
"Te",
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] | 2023-11-16 06:57:59 | [
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[
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] | -0.000103 | 3.874952 | pbe | true | 8a6657cbff2e2424b0578ab2623cff39_123_Er1Te1Rh2 |
[
"K",
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] | 44 | A6B3C2 | K2S6Tc3 | K8 S24 Tc12 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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[
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] | mp-541353 | [
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[
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... | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tc", "attached": nu... | [
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"S",
"S",
"S",
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"S",
"S",
"S",
"S"... | 2014-03-04 20:03:02 | [
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] | -269.352142 | [] | [
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[
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[
0.0067537... | null | 3.552449 | pbe | true | c034921ff538536c578ede99b7958be4_15_K8Tc12S24 |
[
"Cd",
"Os",
"Pd"
] | 5 | A3BC | CdOs3Pd | Cd1 Os3 Pd1 | 3 | [
1,
1,
1
] | 3 | [
[
4.78038201,
0,
0
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[
0,
4.78038201,
0
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[
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4.78038201
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] | agm002574124 | [
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Pd", "attached"... | [
"Os",
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] | 2023-11-16 06:57:59 | [
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[
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] | -27.094471 | [
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[
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[
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]
] | 5.980207 | 5.61284 | pbe | true | 9e3cdf2a4d094999a8883bc9a0b31087_221_Cd1Os3Pd1 |
[
"Er",
"Sm",
"Y"
] | 4 | A2BC | ErSmY2 | Sm1 Y2 Er1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
2.84773125,
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0
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[
2.84773125,
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] | agm001100658 | [
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[
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] | [{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
"Y",
"Sm",
"Er"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
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[
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[
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] | -21.680807 | [
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0
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[
0,
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[
0,
0,
0
]
] | 0.000113 | 9.487814 | pbe | true | 3c6458d90668762d98895cf188378ccf_225_Sm1Y2Er1 |
[
"Ge",
"Hg",
"Y"
] | 5 | A2B2C | Ge2HgY2 | Y2 Hg1 Ge2 | 3 | [
1,
1,
1
] | 3 | [
[
3.81437823,
0,
0
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[
0,
3.81437823,
0
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[
1.90718912,
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]
] | agm002923380 | [
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[
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
"Y",
"Ge",
"Ge",
"Hg"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
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[
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0
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[
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] | -24.586534 | [
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[
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[
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0,
0
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[
0,
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0
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[
0,
0,
0
]
] | 0 | 4.705029 | pbe | true | c1c48d6c5933fd816bf63f570c6a182b_139_Y2Hg1Ge2 |
[
"Ge",
"Ho",
"In"
] | 4 | A2BC | GeHo2In | Ho2 In1 Ge1 | 3 | [
1,
1,
1
] | 3 | [
[
5.18222255,
0,
0
],
[
2.59111127,
4.48793637,
0
],
[
2.59111127,
1.49597879,
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] | agm002338699 | [
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[
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ho", "attached"... | [
"Ge",
"Ho",
"Ho",
"In"
] | 2023-11-16 06:57:59 | [
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[
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[
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] | -18.396746 | [
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[
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0
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[
0,
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[
0,
0,
0
]
] | -0 | 3.275599 | pbe | true | 4d57ca66dce442e6542767c94a962497_225_Ho2In1Ge1 |
[
"Eu",
"Hg",
"Mg"
] | 4 | A2BC | EuHg2Mg | Eu1 Hg2 Mg1 | 3 | [
1,
1,
1
] | 3 | [
[
0.00002357,
3.70469451,
3.70470864
],
[
3.704718,
0.00001081,
3.70472146
],
[
3.70471529,
3.70470456,
0.00001353
]
] | mp-861928 | [
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[
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[
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] | [{"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mg", "attached"... | [
"Eu",
"Mg",
"Hg",
"Hg"
] | 2014-08-22 13:39:59 | [
0.25,
0.5,
0.25
] | [] | -14.207366 | [
6.806,
-0.001,
0.014,
0.014
] | [] | 6.833 | 3.162416 | pbe | true | fdbb25a40e81e1b1e4c6f02282d55f93_225_Eu1Mg1Hg2 |
[
"In",
"Tb",
"Te",
"Tl"
] | 12 | A3BCD | InTbTe3Tl | In1 Tb1 Te3 Tl1 | 4 | [
1,
1,
1
] | 3 | [
[
2.252968319,
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0
],
[
2.252968319,
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0
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[
0,
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11.567183076
]
] | oqmd-4915227 | [
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[
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[
... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Te", "attached"... | [
"In",
"In",
"Tb",
"Tb",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Tl",
"Tl"
] | 2024-11-01 00:00:00 | [
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0.5,
0.16666666666666666
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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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-0.00... | 0.019143 | null | pbe | true | 0e99f5ca583edd3cf5a8634933d9c22e_63_Tb2Tl2In2Te6 |
[
"Ba",
"Ta",
"Zn"
] | 4 | A2BC | BaTa2Zn | Ba1 Ta2 Zn1 | 3 | [
1,
1,
1
] | 3 | [
[
4.99065506,
0,
0
],
[
2.49532753,
4.32203407,
0
],
[
2.49532753,
1.44067802,
4.0748528
]
] | agm004132360 | [
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[
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0
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[
2.49532753,
1.4406780225,
1.0187132
],
[
7.48598259,
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Zn", "attached"... | [
"Ba",
"Ta",
"Ta",
"Zn"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
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[
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[
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[
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]
] | -23.456881 | [
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[
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0
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[
0,
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[
0,
0,
0
]
] | -0.000006 | 0.620311 | pbe | true | 75da9fe0d9df6c5d4b205d1df605ec5f_216_Ba1Ta2Zn1 |
[
"Ge",
"Ho",
"In"
] | 6 | ABC | GeHoIn | Ho2 In2 Ge2 | 3 | [
1,
1,
1
] | 3 | [
[
4.00153429,
0,
0
],
[
0,
4.25421603,
0
],
[
-2.00076715,
0,
9.71904043
]
] | agm001001293 | [
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[
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0.9223340210948711
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[
2.0007671404744984,
3.604950852655414,
8.796706408905129
... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ho", "attached"... | [
"Ho",
"Ho",
"In",
"In",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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[
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]
] | -25.948874 | [
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[
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[
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[
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[
0,
0.00290207,
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],
[
0,
0.00290207,
0.00288743
]
] | 0 | 2.170962 | pbe | true | e652481caf446d02e0cbd0711b73b719_63_Ho2In2Ge2 |
[
"Eu",
"Sm",
"Tl"
] | 4 | A2BC | EuSm2Tl | Sm2 Eu1 Tl1 | 3 | [
1,
1,
1
] | 3 | [
[
4.88757344,
0,
0
],
[
0,
5.03807516,
0
],
[
0,
0,
5.03807516
]
] | agm001225265 | [
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2.51903758
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[
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[
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-0.000... | 6.021854 | 0.571001 | pbe | true | 24d597ab08bc3022b29bf2089dc41111_167_K4Nd4Ir2O14 |
[
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1,
1,
1
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[... | 0.002097 | 13.202004 | pbe | true | 2e0008439093e03a894d612101a9c895_12_K4Pr2Ir2O12 |
[
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1
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] | -0.000007 | 2.209709 | pbe | true | 2b50e4fead8b25cf9cf92ae3966691cb_166_Ho1Ge2Mo1 |
[
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1,
1,
1
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] | -0.000058 | 2.803377 | pbe | true | d580ec08bedb0e90fa4ed75cb5ab8c08_156_Ni1Mo1W1 |
[
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1,
1,
1
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0
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] | 14.189555 | 12.236317 | pbe | true | fabc155e824733fb043c9a4a6e48a008_123_Eu2Zn1Sn1 |
[
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1,
1,
1
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[
0,
0,
0
],
[
5.8929290776981755,
5.238276151400893,
3.7040205903275223
],
[
4.30291339100882... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ir", "attached": nu... | [
"K",
"K",
"Y",
"Ir",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1,
0.2,
0.6,
0.1
] | [
[
0.7957887,
0,
0
],
[
0,
0.7957887,
0
],
[
0,
0,
0.7957887
]
] | -64.299151 | [
0,
0,
0,
0.001,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
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],
[
0,
0,
0
],
[
0,
0,
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[
0,
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],
[
0.00185979,
-0.00107375,
0.00151851
],
[
0.00185979,
0.00107375,
-0.00151851
],
[
-0.00185979,
-0.00107375,
... | 0.00259 | 5.652531 | pbe | true | 4f3c1876f09acef06731c33b9472cb9e_225_K2Y1Ir1O6 |
[
"Eu",
"Sr",
"Tb"
] | 4 | A2BC | EuSr2Tb | Sr2 Tb1 Eu1 | 3 | [
1,
1,
1
] | 3 | [
[
4.2914738,
0,
0
],
[
0,
4.2914738,
0
],
[
0,
0,
9.58880954
]
] | agm001156902 | [
[
2.1457369,
2.1457369,
4.79440477
],
[
0,
0,
7.371062204981576
],
[
0,
0,
2.217747335018423
],
[
2.1457369,
2.1457369,
0
]
] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Eu", "attached"... | [
"Eu",
"Sr",
"Sr",
"Tb"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.6585646,
0,
0
],
[
0,
0.6585646,
0
],
[
0,
0,
1.5220705
]
] | -17.605434 | [
6.969,
0.006,
0.006,
-0.135
] | [
[
0,
0,
0
],
[
0,
0,
0.00884976
],
[
0,
0,
-0.00884976
],
[
0,
0,
0
]
] | 7.199038 | 4.010384 | pbe | true | 29a734b35e40cc35350bc962077bda9e_123_Sr2Tb1Eu1 |
[
"N",
"Th",
"Zr"
] | 3 | ABC | NThZr | Th1 Zr1 N1 | 3 | [
1,
1,
1
] | 3 | [
[
5.8625829,
0,
0
],
[
0,
3.44857156,
0
],
[
0,
-1.72428578,
2.98655058
]
] | agm001274825 | [
[
4.574778803148987,
1.724285797242858,
0.9955168500448313
],
[
1.4517336985266418,
-1.724285798240464e-8,
1.9910337299551686
],
[
5.698653298324371,
0,
0
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "N", "attached":... | [
"Zr",
"Th",
"N"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.02934678,
0,
0
],
[
0,
0.38876298,
0
],
[
0,
0,
0.38876298
]
] | -26.92434 | [
0.159,
0.247,
0.032
] | [
[
0.00354035,
0,
0
],
[
0.000255,
0,
0
],
[
-0.00379535,
0,
0
]
] | 0.777775 | 2.745803 | pbe | true | 4713574e6034c8cb3f80207f8d902421_156_Th1Zr1N1 |
[
"Na",
"Ni",
"Sb"
] | 3 | ABC | NaNiSb | Na1 Ni1 Sb1 | 3 | [
1,
1,
1
] | 3 | [
[
4.4056884,
0,
0
],
[
0,
4.26594916,
0
],
[
0,
-2.13297458,
3.69442035
]
] | agm001267093 | [
[
0.734303619355164,
0,
0
],
[
2.937233950563384,
-2.1329745948703772e-8,
2.4629469123147345
],
[
0.734150830081452,
2.132974601329746,
1.2314734376852654
]
] | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ni", "attached"... | [
"Sb",
"Na",
"Ni"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
-1.9921048,
0,
0
],
[
0,
-2.6880393,
0
],
[
0,
0,
-2.6880393
]
] | -11.558089 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000005 | 2.433874 | pbe | true | db03c0aff83f0cee1f893e59297b8fe9_187_Na1Ni1Sb1 |
[
"Nb",
"Pu",
"Sm"
] | 3 | ABC | NbPuSm | Nb1 Pu1 Sm1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.473824623,
3.473824623
],
[
3.473824623,
0,
3.473824623
],
[
3.473824623,
3.473824623,
0
]
] | oqmd-6965875 | [
[
0,
0,
0
],
[
1.73691,
1.73691,
1.73691
],
[
5.21074,
5.21074,
5.21074
]
] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Sm", "attached"... | [
"Nb",
"Pu",
"Sm"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
20.94153872,
0,
0
],
[
0,
20.94153872,
0
],
[
0,
0,
20.94153872
]
] | -26.5963 | [
-0.96,
5.015,
-0.098
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.01265 | null | pbe | true | 61c77919b6b5d2b5fb16e3cb465960c3_216_Sm1Pu1Nb1 |
[
"Nb",
"Pu",
"W"
] | 3 | ABC | NbPuW | Nb1 Pu1 W1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.159168411,
3.159168411
],
[
3.159168411,
0,
3.159168411
],
[
3.159168411,
3.159168411,
0
]
] | oqmd-5735933 | [
[
4.73875,
4.73875,
4.73875
],
[
1.57958,
1.57958,
1.57958
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "W", "attached":... | [
"Nb",
"Pu",
"W"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
107.07488285,
0,
0
],
[
0,
107.07488285,
0
],
[
0,
0,
107.07488285
]
] | -35.1637 | [
-0.028,
4.829,
-0.203
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.72369 | null | pbe | true | c70141d462ad4b197274dc042dc626db_216_Pu1Nb1W1 |
[
"Ir",
"La",
"Os",
"Si"
] | 5 | A2BCD | IrLaOsSi2 | La1 Si2 Ir1 Os1 | 4 | [
1,
1,
1
] | 3 | [
[
4.20107833,
0,
0
],
[
0,
4.20107833,
0
],
[
-2.10053916,
-2.10053916,
5.06335258
]
] | agm005019038 | [
[
0,
0,
0
],
[
2.1005391873226706,
2.1005391873226706,
1.333970161614748
],
[
-1.7322671125616167e-8,
-1.7322671125616167e-8,
3.7293824183852524
],
[
2.4999999848063226e-9,
2.1005391675,
2.53167629
],
[
2.1005391675,
2.4999999848063226e-9,
... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ir", "attached"... | [
"La",
"Si",
"Si",
"Ir",
"Os"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
5.527115,
0,
0
],
[
0,
5.527115,
0
],
[
0,
0,
5.086128
]
] | -40.338502 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
-0.00373378
],
[
0,
0,
0.00373378
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.734425 | pbe | true | 92fa9cff5f1b8af84df829fe860b0047_119_La1Si2Ir1Os1 |
[
"Ca",
"Te",
"Zr"
] | 4 | A2BC | CaTeZr2 | Ca1 Zr2 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
3.78655051,
-0.00265598,
0
],
[
0.00277181,
3.78655435,
0
],
[
0,
0,
7.11760951
]
] | agm004265161 | [
[
1.89466116,
1.8919491849999999,
1.7794023775
],
[
1.89466116,
1.8919491849999999,
5.3382071325
],
[
0,
0,
6.813896699290404
],
[
0,
0,
3.8625175657095965
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Te", "attached"... | [
"Ca",
"Te",
"Zr",
"Zr"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.5205138,
0.00004651,
0
],
[
0.00004651,
1.5205168,
0
],
[
0,
0,
1.5147161
]
] | -22.801227 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00121345
],
[
0,
0,
-0.00121345
]
] | 0.000183 | 4.062477 | pbe | true | ca7e24c3206c304f4ea083aea3ee3204_123_Ca1Zr2Te1 |
[
"Ir",
"La",
"Ta",
"Ti"
] | 5 | A2BCD | Ir2LaTaTi | La1 Ta1 Ti1 Ir2 | 4 | [
1,
1,
1
] | 3 | [
[
4.41145859,
0,
0
],
[
0,
4.41145859,
0
],
[
-2.2057293,
-2.2057293,
5.35500683
]
] | agm005017555 | [
[
0,
0,
0
],
[
2.2057292925,
-2.4999999848063226e-9,
2.677503415
],
[
-2.4999999848063226e-9,
2.2057292925,
2.677503415
],
[
2.2057292937442163,
2.2057292937442163,
1.3449457368001245
],
[
-3.744216669491786e-9,
-3.744216669491786e-9,
4.010... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ir", "attached"... | [
"La",
"Ta",
"Ti",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
5.0046244,
0,
0
],
[
0,
5.0046244,
0
],
[
0,
0,
5.0121446
]
] | -45.993566 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00169484
],
[
0,
0,
-0.00169484
]
] | -0.000002 | 4.054531 | pbe | true | 35e2a111879fbe872438121b198176dd_119_La1Ta1Ti1Ir2 |