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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Re",
"Se",
"Te"
] | 18 | ABC | ReSeTe | Re6 Te6 Se6 | 3 | [
1,
1,
1
] | 3 | [
[
12.61200206,
-0.00378691,
0
],
[
0.00048975,
6.50958262,
0
],
[
0,
0,
18.48454643
]
] | agm2000093464 | [
[
7.723391809400766,
0.8309365176698268,
9.5364534775152
],
[
4.892441379213234,
0.8313039251722789,
9.536435547505164
],
[
1.4176414556719412,
4.087617961040713,
9.536455695660774
],
[
11.198692833410883,
4.084200671876993,
9.536427599150198
],
[
... | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Re",
"Re",
"Re",
"Re",
"Re",
"Re",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.2761791,
0.00042522,
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],
[
0.00042519,
1.2857747,
-0.01034538
],
[
-0.00084274,
-0.01034551,
0.11439151
]
] | -110.237768 | [
0.402,
0.4,
0.402,
0.4,
0.068,
0.068,
-0.008,
-0.008,
-0.008,
-0.008,
0.011,
0.011,
0.032,
0.032,
0.032,
0.032,
-0.008,
-0.008
] | [
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0.01351814,
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0.0071082
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0.00696126
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0.01351814,
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[
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0.00696126
],
[
0.00004607,
0.01320584,
0.00041347
],
[
0.00004607,
0.01320584... | 2.382989 | 12.697391 | pbe | true | bc741ee6f94a9f156ea31b5970a51b61_8_Re6Te6Se6 |
[
"Re",
"Te",
"Th"
] | 20 | A3BC | ReTeTh3 | Th12 Re4 Te4 | 3 | [
1,
1,
1
] | 3 | [
[
4.61310832,
0,
0
],
[
0,
7.72918891,
0
],
[
0,
0,
16.56567211
]
] | agm005861381 | [
[
1.15327708,
2.803088441618768,
9.123243744603867
],
[
3.45983124,
6.370138726377293,
3.4831437734469026
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[
3.45983124,
3.785938286765496,
15.037094926169726
],
[
3.45983124,
7.650532741765496,
9.811413238830276
],
[
3.45983124,
4.9261004683... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Th",
"Th",
"Th",
"Th",
"Th",
"Th",
"Th",
"Th",
"Th",
"Th",
"Th",
"Th",
"Re",
"Re",
"Re",
"Re",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
1.8944874,
0,
0
],
[
0,
1.9305296,
0
],
[
0,
0,
1.9331704
]
] | -159.358767 | [
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0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
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0,
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[
0,
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[
0,
0.0005487,
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[
0,
0.0005487,
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[
0,
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0.00129162
],
[
0,
-0.0005487,
0.00132993
],
[
0,
0.00060469,
0.... | 0.000014 | 14.060308 | pbe | true | 435ea258c3b1154361f6828be4a7786d_62_Th12Re4Te4 |
[
"Rh",
"S",
"Sr"
] | 15 | A8B6C | Rh6S8Sr | Sr1 Rh6 S8 | 3 | [
1,
1,
1
] | 3 | [
[
6.49945076,
0.11739248,
-0.08907393
],
[
-0.09189637,
6.49986069,
-0.08907385
],
[
0.11367177,
0.11739149,
6.49906689
]
] | agm006038622 | [
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0,
0,
0
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[
3.9267937180923163,
2.954814952120417,
5.182907464994707
],
[
2.782576624195943,
5.395225092457614,
3.763240823053892
],
[
5.268549976429088,
4.019878607707336,
2.6638562698423622
],
[
2.5944324419076836,
3.7798297078795837,
... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.4,
0.5333333333333333,
0.06666666666666667
] | [
[
5.422181,
0.0556431,
0.05222365
],
[
0.05564261,
5.4257646,
0.05393301
],
[
0.05222416,
0.05393252,
5.418922
]
] | -87.50866 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
-0.00117983,
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],
[
0.00004304,
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[
-0.00405249,
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0.00007585
],
[
0.00117983,
0.0000886,
0.00405288
],
[
-0.00004304,
0.00408844,
0.00105286
],
[... | -0 | 6.828161 | pbe | true | 5c807c684eb853a66aacbf5d82daac16_148_Sr1Rh6S8 |
[
"Sb",
"Sc",
"Ta"
] | 3 | ABC | SbScTa | Sb1 Sc1 Ta1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.334056,
3.334056
],
[
3.334056,
0,
3.334056
],
[
3.334056,
3.334056,
0
]
] | oqmd-3675900 | [
[
1.6670299999999996,
1.6670299999999996,
1.6670299999999996
],
[
5.001080000000001,
5.001080000000001,
5.001080000000001
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}] | [
"Sb",
"Sc",
"Ta"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
9.97983,
0,
0
],
[
0,
9.97983,
0
],
[
0,
0,
9.97983
]
] | -20.8632 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.73753 | null | pbe | true | 4e1e277c7cf3dfd7b8dd1ff1f84ee72d_216_Sc1Ta1Sb1 |
[
"Rh",
"Si",
"Y"
] | 4 | A2BC | RhSi2Y | Y1 Si2 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
4.05839221,
0,
0
],
[
0,
4.05870823,
0
],
[
0,
0,
4.12151958
]
] | agm004022732 | [
[
0,
2.029354115,
2.06075979
],
[
0,
0,
0
],
[
2.029196105,
2.029354115,
0
],
[
2.029196105,
0,
2.06075979
]
] | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Rh",
"Si",
"Si",
"Y"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
4.0568275,
0,
0
],
[
0,
3.9893303,
0
],
[
0,
0,
4.248233
]
] | -26.539139 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000005 | 1.088759 | pbe | true | 61f1ddcbd7cac1ac7ae915c9b581e325_123_Y1Si2Rh1 |
[
"Rh",
"Ta",
"Tc"
] | 4 | A2BC | RhTaTc2 | Ta1 Tc2 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
4.81127525,
0.0008457,
-0.02298893
],
[
1.56730084,
4.54883918,
0.02298893
],
[
-3.17440915,
-2.29570532,
2.79316348
]
] | agm004380177 | [
[
3.18947442699335,
2.274975381792194,
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],
[
0.7911378343921966,
2.264022363630297,
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2.253523863562419,
2.79316348
],
[
2.413481601795628,
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1.385087275
]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Rh",
"Ta",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
7.978802,
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],
[
-0.01808468,
7.9912567,
0.26799506
],
[
-0.19116043,
0.26799506,
8.015602
]
] | -40.599198 | [
0,
0,
0,
0
] | [
[
0.00083801,
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0
],
[
-0.00380443,
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0
],
[
0.00352127,
0.00251164,
0
],
[
-0.00055485,
-0.00039576,
0
]
] | -0.000004 | 4.655445 | pbe | true | fd5977b22b164774a7a30c4228f2f3b0_119_Ta1Tc2Rh1 |
[
"Rh",
"Tc",
"Ti"
] | 10 | A2B2C | RhTc2Ti2 | Ti4 Tc4 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
7.13402473,
0,
0
],
[
0,
7.13402473,
0
],
[
0,
0,
3.0832642
]
] | agm003023864 | [
[
0,
0,
0
],
[
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0
],
[
2.717746029369762,
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0
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[
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[
4.4162787006302375,
0.8492663356302378,
0
],
[
0.8492663356302378,
2.717746029369762,
... | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Rh",
"Rh",
"Tc",
"Tc",
"Tc",
"Tc",
"Ti",
"Ti",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
4.98637,
0,
0
],
[
0,
4.98637,
0
],
[
0,
0,
10.209171
]
] | -88.39588 | [
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0,
0,
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0,
0,
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0
] | [
[
0,
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[
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[
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[
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0
],
[
0.03453595,
0.03453595,
0
],
[
0.03453595,
... | 0.000001 | 14.771693 | pbe | true | 31a8dd7e8083c23866c65c33bc0b3601_127_Ti4Tc4Rh2 |
[
"Rh",
"Te",
"V"
] | 9 | A6B2C | RhTe2V6 | V6 Te2 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
3.48798827,
0,
0
],
[
0,
6.93431823,
0
],
[
0,
-3.46715911,
6.00529574
]
] | agm002191902 | [
[
0,
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4.003530513350986
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[
0,
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[
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[
0,
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],
[
0,
-0.8583343125636697,
1.4866... | [{"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": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"Te",
"Te",
"Rh",
"V",
"V",
"V",
"V",
"V",
"V"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
0.2222222222222222,
0.6666666666666666
] | [
[
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[
0,
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[
0,
0,
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] | -67.436948 | [
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0.026,
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[
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[
0,
0.01208704,
0
],
[
0,... | 0.550092 | 8.931154 | pbe | true | 8bd642135cd8ee7af90a93ba6e86a4c8_189_V6Te2Rh1 |
[
"Rh",
"Ti",
"V"
] | 7 | A4B2C | Rh4Ti2V | Ti2 V1 Rh4 | 3 | [
1,
1,
1
] | 3 | [
[
4.47966848,
0,
0
],
[
0,
4.47966848,
0
],
[
2.23983424,
2.23983424,
6.19173416
]
] | agm001078074 | [
[
2.23983424,
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1.5935229071160304
],
[
4.47966848,
4.47966848,
4.59821125288397
],
[
2.2398342623983423,
2.2398342623983423,
3.765697116435233
],
[
4.479668457601657,
4.479668457601657,
2.4260370435647673
],
[
0,
2.23983424,
0
... | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"Ti",
"Ti",
"Rh",
"Rh",
"Rh",
"Rh",
"V"
] | 2023-11-16 06:57:59 | [
0.5714285714285714,
0.2857142857142857,
0.14285714285714285
] | [
[
9.257256,
0,
0
],
[
0,
9.257256,
0
],
[
0,
0,
9.59611
]
] | -52.556924 | [
0.016,
0.016,
0.003,
0.003,
-0.004,
-0.004,
0.272
] | [
[
0,
0,
-0.0060863
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[
0,
0,
0.0060863
],
[
0,
0,
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[
0,
0,
0.00248331
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.310863 | 6.649185 | pbe | true | 09e3e2c8cde59e1689eae277aaf8458c_139_Ti2V1Rh4 |
[
"Rh",
"V",
"W"
] | 7 | A4B2C | RhV4W2 | V4 Rh1 W2 | 3 | [
1,
1,
1
] | 3 | [
[
2.94470228,
0,
-0.38856142
],
[
0,
2.9992676,
0
],
[
0.03205331,
0,
11.59537624
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] | agm005964078 | [
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"V",
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"V",
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] | 2023-11-16 06:57:59 | [
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] | -0.000003 | 7.137912 | pbe | true | f4e656d3a69c59a373ed918f94a6a8d5_65_V4Rh1W2 |
[
"Ru",
"Sb",
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] | 3 | ABC | RuSbSc | Sc1 Sb1 Ru1 | 3 | [
1,
1,
1
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[
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0
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[
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] | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Ru",
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] | 2023-11-16 06:57:59 | [
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[
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] | -0.000009 | 2.235237 | pbe | true | 4833c2a7ab9f29468d49756299b9e90a_187_Sc1Sb1Ru1 |
[
"Ru",
"Se",
"Te"
] | 4 | A2BC | Ru2SeTe | Te1 Ru2 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
3.16365219,
0,
0
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[
0,
3.85187363,
0
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[
0,
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] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Ru",
"Ru",
"Se",
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] | 2023-11-16 06:57:59 | [
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[
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[
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] | 0 | 3.637647 | pbe | true | 55de23c0f337c9dce2f0afc44eff706c_25_Te1Ru2Se1 |
[
"Ru",
"Sn",
"Th"
] | 12 | A3B2C | RuSn3Th2 | Th4 Sn6 Ru2 | 3 | [
1,
1,
1
] | 3 | [
[
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0
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[
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[
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... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}] | [
"Ru",
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"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Th",
"Th",
"Th",
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] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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[
-0.00004843,... | 0.000004 | 9.121588 | pbe | true | 11726bf9905d16b87cbba913b40681ca_194_Th4Sn6Ru2 |
[
"Ru",
"Sn",
"Ta"
] | 11 | A6B4C | Ru4Sn6Ta | Ta1 Sn6 Ru4 | 3 | [
1,
1,
1
] | 3 | [
[
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0.0036717,
-0.06393734
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[
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[
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... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"Ru",
"Ru",
"Ru",
"Ru",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
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] | 2023-11-16 06:57:59 | [
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[
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] | -73.311062 | [
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[
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[
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0.001585... | -0 | 2.940632 | pbe | true | 2991e2cb760d0bf8705e2b449f16d985_1_Ta1Sn6Ru4 |
[
"Ru",
"Tc",
"Zr"
] | 4 | A2BC | Ru2TcZr | Zr1 Tc1 Ru2 | 3 | [
1,
1,
1
] | 3 | [
[
4.01523252,
0,
0
],
[
0,
4.01669965,
0
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[
0,
0,
3.93188412
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] | agm003958975 | [
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[
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[
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[
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"Ru",
"Ru",
"Tc",
"Zr"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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[
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[
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] | -37.687179 | [
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[
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[
0,
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[
0,
0,
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] | -0.000007 | 4.999961 | pbe | true | 2b53e70382c3dc6dc548755d2f81174c_123_Zr1Tc1Ru2 |
[
"Ru",
"Tm",
"Zr"
] | 4 | A2BC | Ru2TmZr | Tm1 Zr1 Ru2 | 3 | [
1,
1,
1
] | 3 | [
[
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0.00254109,
0.00032472
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[
2.33986996,
4.05260291,
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[
2.34090581,
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3.75689099
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] | agm002360870 | [
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[
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[
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[
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Ru",
"Ru",
"Tm",
"Zr"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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[
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[
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] | -33.832616 | [
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] | [
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[
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 2.297859 | pbe | true | 2e73b55062e07fac1881124643f49738_225_Tm1Zr1Ru2 |
[
"S",
"Te",
"V"
] | 8 | A2BC | STeV2 | V4 Te2 S2 | 3 | [
1,
1,
1
] | 3 | [
[
6.87484385,
-0.00103754,
0
],
[
0.00059796,
3.9657921,
0
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[
0,
0,
18.12660301
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] | agm2000094068 | [
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[
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[
... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"V",
"V",
"V",
"V",
"Te",
"Te",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.25,
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0.5
] | [
[
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[
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[
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] | -51.115736 | [
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[
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[
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[
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[
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[
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-0.00239779,
... | -0.000005 | 8.043972 | pbe | true | 7eaeab18af773bbf081ced1c771be803_183_V4Te2S2 |
[
"Sb",
"Si",
"Ta"
] | 4 | A2BC | SbSi2Ta | Ta1 Si2 Sb1 | 3 | [
1,
1,
1
] | 3 | [
[
3.09313908,
0.02827123,
0
],
[
-0.58802034,
3.03686363,
0
],
[
0,
0,
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]
] | agm004009156 | [
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[
1.25255937,
1.53256743,
1.98231656402749
],
[
0,
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] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Sb",
"Si",
"Si",
"Ta"
] | 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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1.8132838,
0
],
[
0,
0,
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]
] | -25.839992 | [
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] | [
[
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[
0,
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],
[
0,
0,
0.00225545
],
[
0,
0,
-0.0061732
]
] | 0 | 1.696627 | pbe | true | 849c5440f1ede1f04b1500b03e76d3ec_35_Ta1Si2Sb1 |
[
"Sb",
"Te",
"Zr"
] | 6 | ABC | SbTeZr | Zr2 Sb2 Te2 | 3 | [
1,
1,
1
] | 3 | [
[
3.6827944,
0,
0
],
[
0,
6.55805653,
0
],
[
0,
0,
19.136761
]
] | agm2000137871 | [
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[
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[
0.9206986,
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11.50090611821739
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[
2.7620958,
0.4371357... | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Sb",
"Sb",
"Te",
"Te",
"Zr",
"Zr"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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[
0,
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]
] | -34.258429 | [
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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,
0.00117329,
0.0022259
]
] | -0 | 3.455744 | pbe | true | 1ff469ee0d0b4fef79263719e1b52407_11_Zr2Sb2Te2 |
[
"Se",
"Tl",
"W"
] | 3 | ABC | SeTlW | Tl1 W1 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
4.817348,
0,
0
],
[
2.408674,
4.17194575,
0
],
[
2.408674,
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]
] | agm003966730 | [
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[
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0
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Se",
"Tl",
"W"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
3.1688623,
0,
0
],
[
0,
3.1688623,
0
],
[
0,
0,
3.1688623
]
] | -13.579513 | [
-0.018,
0.04,
2.685
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.623921 | 1.653268 | pbe | true | 832ae7831d5de828414031cfcc371f47_216_Tl1W1Se1 |
[
"Sc",
"V",
"Y"
] | 8 | A2BC | Sc2VY | Y2 Sc4 V2 | 3 | [
1,
1,
1
] | 3 | [
[
6.93247464,
0,
0
],
[
0,
6.93247464,
0
],
[
3.46623732,
3.46623732,
4.92926142
]
] | agm002886416 | [
[
0,
0,
0
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[
6.93247464,
3.46623732,
2.46463071
],
[
3.466427547104121,
1.73311866,
1.232315355
],
[
3.466047092895878,
5.19935598,
1.232315355
],
[
5.19935598,
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3.6969460649999997
],
[
8.6655933,
6.93266486... | [{"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Y",
"Sc",
"Sc",
"Sc",
"Sc",
"V",
"V"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
2.5796752,
0,
0
],
[
0,
2.5796752,
0
],
[
0,
0,
2.3575575
]
] | -46.861176 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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[
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[
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[
0.0001487,
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[
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[
0,
-0.0001487,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | 0.000002 | 8.475102 | pbe | true | 2a82a283c6504ea94c8b3f4dc6f31e22_141_Y2Sc4V2 |
[
"Se",
"Si",
"Ta"
] | 5 | A3BC | SeSiTa3 | Ta3 Si1 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
4.70101786,
0,
0
],
[
0,
4.70101786,
0
],
[
0,
0,
4.70101786
]
] | agm002603467 | [
[
0,
0,
0
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[
2.35050893,
2.35050893,
2.35050893
],
[
0,
2.35050893,
0
],
[
0,
0,
2.35050893
],
[
2.35050893,
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0
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] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Si",
"Se",
"Ta",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
3.1932106,
0,
0
],
[
0,
3.1932106,
0
],
[
0,
0,
3.1932106
]
] | -39.233579 | [
0.02,
0.013,
0.283,
0.234,
0.195
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.153943 | 7.49276 | pbe | true | 5767ff9bfc54c8c314b8777d7c07f1ec_221_Ta3Si1Se1 |
[
"Se",
"Tb",
"Tl"
] | 3 | ABC | SeTbTl | Tb1 Tl1 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
3.8068573,
0,
0
],
[
6e-8,
3.80414008,
0
],
[
0,
0,
18.11228419
]
] | agm2000080894 | [
[
8.88930916e-8,
3.2223931375494246,
8.694945293577442
],
[
1.9034287469717162,
1.3209604051370272,
10.792882658531575
],
[
1.9034287088946564,
1.3204223095227112,
7.680598332890983
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}] | [
"Tb",
"Tl",
"Se"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.47472578,
1e-8,
0
],
[
1e-8,
0.55887216,
-0.00372378
],
[
0,
-0.00372379,
-0.1272255
]
] | -13.122194 | [
0,
0,
0
] | [
[
0,
0.001248,
-0.00015217
],
[
0,
-0.00100936,
-0.00053523
],
[
0,
-0.00023863,
0.0006874
]
] | 0 | 0.98464 | pbe | true | e04da98c308eefc7098ae73e6e0ba4be_99_Tb1Tl1Se1 |
[
"Se",
"Tc",
"W"
] | 4 | A2BC | Se2TcW | Tc1 W1 Se2 | 3 | [
1,
1,
1
] | 3 | [
[
4.27097906,
0,
0
],
[
0,
2.56338325,
-0.59190117
],
[
0,
-1.15077756,
6.60789925
]
] | agm003792028 | [
[
0,
0.19930503887390985,
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[
0,
0.5069978061260899,
3.0318018359698677
],
[
2.13548953,
0.3531514224999999,
1.50399952
],
[
2.13548953,
1.0594542674999998,
4.51199856
]
] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Se",
"Se",
"Tc",
"W"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-1.3037587,
0,
0
],
[
0,
5.153276,
-0.29261446
],
[
0,
-0.29261434,
5.897363
]
] | -27.488743 | [
0,
0,
0,
0
] | [
[
0,
-0.00853007,
-0.04253643
],
[
0,
0.00853007,
0.04253643
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000259 | 4.23491 | pbe | true | b994145d8b7876609ee008a7a10af7e9_10_Tc1W1Se2 |
[
"Si",
"Sn",
"Tb"
] | 18 | A5B2C2 | Si2Sn2Tb5 | Tb10 Si4 Sn4 | 3 | [
1,
1,
1
] | 3 | [
[
7.38789415,
0,
2.68176035
],
[
0,
7.83558981,
0
],
[
1.08385108,
0,
8.53135141
]
] | agm005563719 | [
[
0,
0,
0
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[
3.693947075,
3.917794905,
1.340880175
],
[
4.139167482619873,
1.375470483429032,
7.551021674655156
],
[
6.7567001530594695,
6.460119326570968,
8.50117001028264
],
[
3.06275307805947,
5.293265388429032,
7.160289835282641
],
... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Tb",
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"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Si",
"Si",
"Si",
"Si",
"Sn",
"Sn",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.2222222222222222,
0.2222222222222222,
0.5555555555555556
] | [
[
1.2045536,
0,
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],
[
0,
1.3275818,
0
],
[
-0.01472459,
0,
1.2397735
]
] | -97.251122 | [
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[
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[
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0.00217709
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[
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[
-0.00183269,
-0.00064346,
0.00217709
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[
0.00183269,
-0.00064... | -0.00002 | 11.702435 | pbe | true | e0fde726cdd23fd2c82ae2edb20c59d3_64_Tb10Si4Sn4 |
[
"Si",
"Sr",
"Zn"
] | 10 | A2B2C | Si2SrZn2 | Sr2 Zn4 Si4 | 3 | [
1,
1,
1
] | 3 | [
[
4.29094868,
0,
0
],
[
0,
4.29094868,
0
],
[
0,
0,
10.58601832
]
] | agm003398616 | [
[
2.14547434,
0,
2.6546231033097913
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[
0,
2.14547434,
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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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[
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... | [{"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Sr",
"Sr",
"Zn",
"Zn",
"Zn",
"Zn",
"Si",
"Si",
"Si",
"Si"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
1.4248326,
0,
0
],
[
0,
1.4248326,
0
],
[
0,
0,
1.4690781
]
] | -32.908844 | [
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0,
0,
0,
0,
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0,
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0,
0
] | [
[
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[
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[
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[
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[
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[
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[
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[
0,
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[
0,
0,
0.005076
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[
0,
... | 0 | 2.045454 | pbe | true | 912622ddca6328f154366b7610abad28_129_Sr2Zn4Si4 |
[
"Si",
"Th",
"Zr"
] | 24 | A4BC | Si4ThZr | Th4 Zr4 Si16 | 3 | [
1,
1,
1
] | 3 | [
[
3.84763941,
0,
0
],
[
0,
7.41842093,
0
],
[
0,
0,
16.05835146
]
] | agm005830248 | [
[
0,
4.687664651430746,
5.372299320417985
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[
0,
2.7307562785692547,
10.686052139582015
],
[
0,
0.9784541864307453,
2.656876409582015
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[
0,
6.439966743569254,
13.401475050417986
],
[
0,
4.692922234712255,
1.4031567506332998
],
[
... | [{"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": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Th",
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"Zr",
"Zr",
"Zr",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
[
1.9512972,
0,
0
],
[
0,
1.7043372,
0
],
[
0,
0,
1.8691986
]
] | -162.571738 | [
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0,
0,
0,
0,
0,
0,
0,
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0,
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] | [
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[
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[
0,
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[
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[
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],
[
0,
-0.00095691,
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[
0,
0.00095691,
... | -0 | 12.311669 | pbe | true | 16d1db4d1a3c0d6f35d4cbf511893955_55_Th4Zr4Si16 |
[
"Si",
"Tl",
"Zn"
] | 4 | A2BC | Si2TlZn | Tl1 Zn1 Si2 | 3 | [
1,
1,
1
] | 3 | [
[
10.07201009,
0.02576033,
0.01511274
],
[
9.60377252,
3.03539194,
0.01511274
],
[
9.60377252,
1.49415201,
2.64222301
]
] | agm003997383 | [
[
0.38797342997888573,
0.060360788210824794,
0.0354117063085034
],
[
14.251804135021114,
2.217291351789175,
1.3008125386914966
],
[
7.3198887825,
1.13882607,
0.6681121225
],
[
21.959666347499997,
3.4164782099999997,
2.0043363675
]
] | [{"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": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Si",
"Si",
"Tl",
"Zn"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
3.1764474,
0.02848565,
0.0167116
],
[
0.02848565,
2.9977856,
0.00259999
],
[
0.0167116,
0.00259999,
2.994879
]
] | -12.268862 | [
0,
0,
0,
0
] | [
[
-0.00197715,
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-0.00018046
],
[
0.00197715,
0.0003076,
0.00018046
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000006 | 2.104029 | pbe | true | 2e8c13ce228e0e50a11d4cf9558e4568_166_Tl1Zn1Si2 |
[
"Sm",
"Th",
"Tm"
] | 10 | A5B3C2 | Sm5Th3Tm2 | Sm5 Tm2 Th3 | 3 | [
1,
1,
1
] | 3 | [
[
4.94155122,
0,
1.09654782
],
[
1.84853159,
4.88782466,
3.35239448
],
[
-0.27387448,
-0.83420204,
12.91693908
]
] | agm005600858 | [
[
0,
0,
0
],
[
0.8221852382349681,
-0.48922637620764853,
7.9775860796737925
],
[
5.694023091765032,
4.542848996207648,
9.388295300326208
],
[
4.350572583751418,
2.362879119015214,
3.7597718651431555
],
[
2.165635746248581,
1.6907435009847853,
... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Tm",
"Tm",
"Th",
"Th",
"Th"
] | 2023-11-16 06:57:59 | [
0.5,
0.3,
0.2
] | [
[
0.4410966,
0.02618687,
0.00992234
],
[
0.02618691,
0.4024575,
-0.11801028
],
[
0.00992234,
-0.11801014,
0.39858383
]
] | -54.35762 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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0
],
[
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0.00125924
],
[
0.00027943,
0.0031947,
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],
[
0.00034599,
0.0032835,
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],
[
-0.00034599,
-0.0032835,
0.0015592
],
[
-0.00019857,
-0.00290947,
0.00089484
],
[
... | 0.000003 | 13.296135 | pbe | true | 72b96018f492f27209c6662bc752fc48_12_Sm5Tm2Th3 |
[
"Sm",
"Tm",
"Zn"
] | 12 | A8B3C | Sm3TmZn8 | Sm3 Tm1 Zn8 | 3 | [
1,
1,
1
] | 3 | [
[
5.5131808,
0,
0
],
[
2.7565904,
4.77455462,
0
],
[
2.7565904,
1.59151821,
8.96207853
]
] | agm003586685 | [
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5.513180827565904,
3.183036432166382,
7.845044882779229
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[
8.269771172434096,
4.774554604084873,
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[
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[
6.8... | [{"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Sm",
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"Sm",
"Tm",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn"
] | 2023-11-16 06:57:59 | [
0.25,
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0.6666666666666666
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[
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] | -32.717585 | [
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[
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[
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[
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[
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[
0.00140784,
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0.00051429
... | 0.000004 | 5.829823 | pbe | true | cef0a67cae58da32d87ca9fe6255c25f_160_Sm3Tm1Zn8 |
[
"Sn",
"Tc",
"Zr"
] | 5 | A3BC | SnTc3Zr | Zr1 Tc3 Sn1 | 3 | [
1,
1,
1
] | 3 | [
[
4.80032389,
0,
0
],
[
0,
4.80032389,
0
],
[
0,
0,
4.80032389
]
] | agm002631171 | [
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[
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[
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Sn",
"Zr",
"Tc",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
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[
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[
0,
5.2100763,
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[
0,
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5.2100763
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] | -35.649867 | [
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0.734,
0.544
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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
]
] | 2.124663 | 5.00179 | pbe | true | 6d647850999e05b82ca9357dac75a3fb_221_Zr1Tc3Sn1 |
[
"Ta",
"Te",
"Y"
] | 4 | A2BC | TaTe2Y | Y1 Ta1 Te2 | 3 | [
1,
1,
1
] | 3 | [
[
7.28025116,
0.01127188,
-0.00556783
],
[
5.24502395,
5.04895115,
0.00556784
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[
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2.71293557
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] | agm004388425 | [
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2.1135411966884567,
2.2424155904657317,
1.3592517070724506
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0.6457664856155277,
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1.3536838728510312
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[
5.7127119694711705,
2.307941056607632,
4.5609472997906075e-... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Ta",
"Te",
"Te",
"Y"
] | 2023-11-16 06:57:59 | [
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0.5,
0.25
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[
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],
[
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1.8536924
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] | -26.771823 | [
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0
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[
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0
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[
-0.00149874,
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0
],
[
0.0008302,
0.0003354,
0
]
] | -0 | 0.676405 | pbe | true | 076476b7e5e35ccfd3098720076863f8_44_Y1Ta1Te2 |
[
"Tb",
"Tc",
"Tm"
] | 10 | A3BC | TbTcTm3 | Tb2 Tm6 Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.8689047,
0,
0.00007322
],
[
0,
8.13130678,
-0.00000112
],
[
-0.00010271,
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6.83497973
]
] | agm005750785 | [
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3.6516350372624635,
2.0328261996183143,
2.8940065828681494
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[
1.2171669527375364,
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[
... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Tb",
"Tb",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
1.2950071,
0,
0.00000115
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[
0,
1.1158867,
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],
[
0.00000115,
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1.2195756
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] | -57.118148 | [
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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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[
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[
-3e-8,
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0.00232113
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[
7e-8,
0,
-0.... | -0 | 9.37865 | pbe | true | 199ed61f4a2186b25ee8757bd76e0d4f_59_Tb2Tm6Tc2 |
[
"Te",
"Tl",
"Zn"
] | 24 | A3B2C | Te3Tl2Zn | Tl8 Zn4 Te12 | 3 | [
1,
1,
1
] | 3 | [
[
4.53826387,
0,
0
],
[
0,
9.25552505,
9.5e-7
],
[
0,
9.8e-7,
19.39717604
]
] | agm005888333 | [
[
1.1345659675,
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11.695182774648504
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[
3.4036979025,
8.45572839028042,
1.9965950654639935
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[
3.4036979025,
3.8279661535332887,
7.701994215351497
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[
1.1345659675,
5.... | [{"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": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
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"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.5,
0.3333333333333333,
0.16666666666666666
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[
1.9662542,
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[
0,
1.9961394,
3.1e-7
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[
0,
3.1e-7,
2.040593
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] | -67.798409 | [
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[
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[
0,
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[
0,
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... | 0 | -0.152958 | pbe | true | e365682d9208de4111e316ac69621b25_62_Tl8Zn4Te12 |
[
"Te",
"V",
"Zr"
] | 5 | A3BC | Te3VZr | Zr1 V1 Te3 | 3 | [
1,
1,
1
] | 3 | [
[
6.89588204,
-0.88318953,
0
],
[
1.48710725,
3.48530414,
0
],
[
0,
0,
19.04511132
]
] | agm2000061317 | [
[
1.8452259236323785,
0.9878543037733382,
9.522555469548887
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[
5.010221682013768,
1.69673716432641,
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11.545111439179172
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[
3.5165549663247697,
2.3345337259573213,
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[
5.8... | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"Zr",
"V",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
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0.00258854,
0
],
[
0.00258855,
0.2507884,
0
],
[
0,
0,
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]
] | -28.889308 | [
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1.131,
-0.034,
-0.034,
-0.052
] | [
[
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0
],
[
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0
],
[
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[
-0.00099028,
-0.00025131,
0.0029324
],
[
-0.00295945,
0.00259494,
0
]
] | 1.068554 | 5.959837 | pbe | true | 8631e16da2479597a5a26629ab3e688b_38_Zr1V1Te3 |
[
"Th",
"Tm",
"Zn"
] | 8 | A2BC | ThTmZn2 | Tm2 Th2 Zn4 | 3 | [
1,
1,
1
] | 3 | [
[
3.58044538,
0,
0
],
[
0,
5.05673294,
0
],
[
0,
0,
10.26149166
]
] | agm005637057 | [
[
1.79022269,
1.264183235,
9.041940979621566
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[
1.79022269,
3.792549705,
1.2195506803784346
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[
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[
0,
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[
... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Tm",
"Tm",
"Th",
"Th",
"Zn",
"Zn",
"Zn",
"Zn"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.501112,
0,
0
],
[
0,
1.7089599,
0
],
[
0,
0,
1.602585
]
] | -30.861853 | [
0,
0,
0,
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0,
0,
0,
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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[
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[
0,
0,
-0.00084733
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[
0,
0,
0.00084733
]
] | -0.000003 | 7.406191 | pbe | true | f0f0e6e7d2bb96f5dedeb1027467e8b4_51_Tm2Th2Zn4 |
[
"Ac",
"As",
"K",
"Se"
] | 16 | A4B2CD | AcAsK2Se4 | K4 Ac2 As2 Se8 | 4 | [
1,
1,
1
] | 3 | [
[
8.86975271,
0.0097121,
-0.27013476
],
[
0.00348631,
8.86975685,
-0.27014225
],
[
-4.52219972,
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6.55186575
]
] | agm004869768 | [
[
4.434888974912979,
0.0048803822745325,
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[
2.1737757066293977,
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[
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3.2759326434369007
],
[
-0.08557128263407021,
-0.08566612811810563,
6.281726054070382... | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"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": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}] | [
"K",
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"Ac",
"Ac",
"As",
"As",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.125,
0.125,
0.25,
0.5
] | [
[
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0.0103903
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[
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],
[
0.01039062,
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]
] | -67.478943 | [
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0,
0,
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[
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[
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[
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[
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[
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[
0.00059921,
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],
[
0.00127153,
-0.00... | 0 | -0.00247 | pbe | true | 4407ab108439f1eb95cfd360b5ba18e3_74_K4Ac2As2Se8 |
[
"Ac",
"As",
"Ge",
"Pu"
] | 4 | ABCD | AcAsGePu | Ac1 Pu1 Ge1 As1 | 4 | [
1,
1,
1
] | 3 | [
[
5.2886258,
0,
0
],
[
2.6443129,
4.5800843,
0
],
[
2.6443129,
1.52669477,
4.31814489
]
] | agm001288840 | [
[
5.2886258,
3.053389535,
2.159072445
],
[
7.9329387,
4.5800843025,
3.2386086675000003
],
[
2.6443129,
1.5266947675,
1.0795362225
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}] | [
"Ac",
"Ge",
"As",
"Pu"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
0.5861602,
0,
0
],
[
0,
0.5861602,
0
],
[
0,
0,
0.5861602
]
] | -29.987946 | [
0.031,
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5.343
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 5.445528 | 12.825227 | pbe | true | d0fc667085bf7b13da1a3919c1aa5e16_216_Ac1Pu1Ge1As1 |
[
"Ac",
"Mg",
"Pd",
"Sb"
] | 10 | A4B3C2D | Ac2MgPd3Sb4 | Ac2 Mg1 Sb4 Pd3 | 4 | [
1,
1,
1
] | 3 | [
[
4.63063518,
0,
0
],
[
0,
4.63063518,
0
],
[
0,
0,
11.59170653
]
] | agm004538464 | [
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2.31531759,
0,
2.845246499335501
],
[
0,
2.31531759,
8.7464600306645
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[
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[
2.31531759,
0,
7.432431365281747
],
[
0,
2.31531759... | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"Ac",
"Ac",
"Mg",
"Sb",
"Sb",
"Sb",
"Sb",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.2,
0.1,
0.3,
0.4
] | [
[
1.9624296,
0,
0
],
[
0,
1.9624296,
0
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[
0,
0,
2.0808034
]
] | -50.192964 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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[
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[
0,
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[
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[
0,
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[
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[
0,
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[
0,
0,
0
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[
0,
0,
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[
0... | -0.000003 | 3.843493 | pbe | true | 24ebf356a1d830f7a0935d1678e82749_115_Ac2Mg1Sb4Pd3 |
[
"Ac",
"Mn",
"Pa",
"Si"
] | 5 | A2BCD | AcMnPaSi2 | Ac1 Pa1 Mn1 Si2 | 4 | [
1,
1,
1
] | 3 | [
[
4.30735976,
0,
0
],
[
0,
4.30735976,
0
],
[
-2.15367988,
-2.15367988,
6.09886512
]
] | agm005019710 | [
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0,
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0
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[
0,
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[
2.1536798799999994,
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[
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],
[
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-2.1536798963372907e-8,
4.85336604611677
]
] | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Ac",
"Pa",
"Mn",
"Si",
"Si"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
1.0755327,
0,
0
],
[
0,
1.0755327,
0
],
[
0,
0,
0.9395238
]
] | -34.90953 | [
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2.841,
-0.001,
-0.001
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[
0,
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0
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[
0,
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[
0,
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0
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[
0,
0,
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[
0,
0,
0.00226646
]
] | 1.99236 | 5.151653 | pbe | true | 75527dc8be33d601ce5e54c79e726fe8_119_Ac1Pa1Mn1Si2 |
[
"Ac",
"N",
"Na",
"Pu"
] | 12 | A3BCD | AcN3NaPu | Na2 Ac2 Pu2 N6 | 4 | [
1,
1,
1
] | 3 | [
[
5.7712464,
-0.04667604,
0
],
[
1.0640939,
5.52014462,
0
],
[
0.53204695,
2.76007231,
6.36873445
]
] | agm005029081 | [
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2.50690603204695,
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[
4.86048121795305,
2.72506251992769,
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[
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[
5.392528705320469,
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[
4.... | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"Na",
"Na",
"Ac",
"Ac",
"Pu",
"Pu",
"N",
"N",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.5,
0.16666666666666666,
0.16666666666666666
] | [
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0.6520996,
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0
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[
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0.5463504,
0
],
[
0,
0,
0.5848902
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] | -98.679014 | [
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0.043,
0.043,
3.227,
3.227,
-0.14,
-0.14,
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[
0.00195757,
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[
-0.00195757,
0.00... | 6.00122 | 10.545512 | pbe | true | bab14814c70a3e1e223ddf6ccd7ab6dc_15_Na2Ac2Pu2N6 |
[
"Ac",
"O",
"Pr",
"S"
] | 7 | A2B2C2D | Ac2O2PrS2 | Ac2 Pr1 S2 O2 | 4 | [
1,
1,
1
] | 3 | [
[
4.54770235,
0,
0
],
[
0,
4.54770235,
0
],
[
-2.27385118,
-2.27385117,
7.86504664
]
] | agm004540421 | [
[
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0.000002277503218093539,
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[
2.273853447503219,
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0,
0
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[
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1.7951448257791296e-9,
2.8237795155106946
],
[
2.2738511717951444,
2... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}] | [
"Ac",
"Ac",
"Pr",
"S",
"S",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.2857142857142857,
0.14285714285714285,
0.2857142857142857
] | [
[
0.2303104,
0,
0
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[
0,
0.2303104,
0
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[
0,
0,
0.4855621
]
] | -47.772177 | [
0,
0,
0,
0,
0,
0,
0
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[
0,
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[
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0,
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[
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0,
0
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[
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.00006 | 2.277488 | pbe | true | f97bacd8035adab24c0f76fece5db755_139_Ac2Pr1S2O2 |
[
"Ac",
"O",
"Pd",
"Y"
] | 20 | A6B2CD | Ac2O6PdY | Ac4 Y2 Pd2 O12 | 4 | [
1,
1,
1
] | 3 | [
[
5.72386336,
0,
0
],
[
0,
6.21488355,
0
],
[
0,
0,
8.88987772
]
] | agm004934267 | [
[
2.86193168,
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1.8668848112557095
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[
0,
1.2762108619324606,
6.311823671255709
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[
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[
0,
1.2762108619324606,
2.5780540487442902
],
[
0,
4.483760240988467,
4.44493886
],... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
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"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.1,
0.1
] | [
[
0.44982836,
0,
0
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[
0,
0.45290947,
0
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[
0,
0,
0.48780066
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] | -148.871197 | [
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0.046,
0.046,
0.566,
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0.139,
0.139,
0.139,
0.139,
0.026,
0.026,
0.015,
0.015,
0.015,
0.015,
0.026,
0.026
] | [
[
0,
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[
0,
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[
0,
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[
0,
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[
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[
0,
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[
0,
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[
0,
... | 2.020551 | 1.655082 | pbe | true | f9c187122d9b790e0b72424888713961_59_Ac4Y2Pd2O12 |
[
"Ag",
"Al",
"Cs",
"Te"
] | 8 | A4B2CD | AgAl2CsTe4 | Cs1 Al2 Ag1 Te4 | 4 | [
1,
1,
1
] | 3 | [
[
6.84800793,
0,
0
],
[
3.42400397,
6.84939049,
-0.02304828
],
[
3.42400397,
0.53836545,
6.82823872
]
] | agm004788624 | [
[
0,
0,
0
],
[
3.424003968541039,
2.616033486112404,
2.4097447472543334
],
[
10.27201190145896,
4.771722453887596,
4.395445692745667
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[
6.848007934999999,
3.69387797,
3.40259522
],
[
5.257887925826656,
1.299643060104136,
3.43286173813604
... | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
"Al",
"Al",
"Ag",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.125,
0.25,
0.125,
0.5
] | [
[
0.38847592,
0,
0
],
[
0,
0.36109012,
0.03022273
],
[
0,
0.03022273,
0.35611963
]
] | -25.650753 | [
0,
0,
0,
0,
0,
0,
0,
0
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[
0,
0,
0
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[
0,
0.00199818,
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[
0,
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[
0,
0,
0
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[
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[
0.00086171,
-0.00268511,
0.00082628
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[
-0.00086171,
-0.00060345,
0.002743... | -0.000007 | -0.251289 | pbe | true | d658c7c5ad28310c80bbfd5fe4298121_23_Cs1Al2Ag1Te4 |
[
"Ag",
"Al",
"Dy",
"Mg"
] | 6 | A2B2CD | Ag2Al2DyMg | Dy1 Mg1 Al2 Ag2 | 4 | [
1,
1,
1
] | 3 | [
[
4.57182975,
0,
0
],
[
-2.28591488,
3.95932071,
0
],
[
0,
0,
6.61486523
]
] | agm004744629 | [
[
0,
0,
0
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[
0,
0,
3.307432615
],
[
-2.6192482148744176e-8,
2.6395471531977357,
4.88149959486018
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[
2.285914896192482,
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1.7333656351398208
],
[
-2.6192482148744176e-8,
2.6395471531977357,
1.8330533078722284
],
[
... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Dy",
"Mg",
"Al",
"Al",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.16666666666666666,
0.16666666666666666
] | [
[
2.554872,
0,
0
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[
0,
2.554872,
0
],
[
0,
0,
2.9826875
]
] | -21.068729 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
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[
0,
0,
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],
[
0,
0,
0.00458545
],
[
0,
0,
-0.00458545
]
] | -0.000004 | 2.967983 | pbe | true | d3c39d9f9353d9e13c55f7f866ae32a7_164_Dy1Mg1Al2Ag2 |
[
"Ag",
"Al",
"Cu",
"Mn"
] | 4 | ABCD | AgAlCuMn | Mn1 Al1 Cu1 Ag1 | 4 | [
1,
1,
1
] | 3 | [
[
4.37706139,
0,
0
],
[
2.1885307,
3.79064636,
0
],
[
2.1885307,
1.26354879,
3.57385566
]
] | agm001340294 | [
[
4.377061394999999,
2.527097575,
1.78692783
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[
6.565592092499999,
3.7906463625,
2.680391745
],
[
2.1885306974999996,
1.2635487875,
0.893463915
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Mn",
"Cu",
"Ag",
"Al"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
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0,
0
],
[
0,
-1.7669762,
0
],
[
0,
0,
-1.7669762
]
] | -19.821502 | [
3.657,
0.041,
0.019,
-0.034
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.77137 | 1.160822 | pbe | true | 17a59dfa9e6cada5348f9c6f02415d67_216_Mn1Al1Cu1Ag1 |
[
"Ag",
"Au",
"Ba",
"Cd"
] | 8 | A4B2CD | Ag4AuBaCd2 | Ba1 Cd2 Ag4 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
4.74563086,
0,
0
],
[
2.37281543,
4.10983688,
0
],
[
2.37281543,
1.36994563,
9.86869351
]
] | agm004793971 | [
[
0,
0,
0
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[
7.118446313728155,
4.109836896064005,
7.000503205860838
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[
2.372815406271846,
1.3699456139359945,
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[
4.745630836271846,
2.739891242239321,
7.713699770970688
],
[
7.1184462900000005,
4.109836881328241,
3... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Ba",
"Cd",
"Cd",
"Ag",
"Ag",
"Ag",
"Ag",
"Au"
] | 2023-11-16 06:57:59 | [
0.5,
0.125,
0.125,
0.25
] | [
[
5.7799764,
0,
0
],
[
0,
5.7799764,
0
],
[
0,
0,
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]
] | -19.29536 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
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[
0,
0,
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[
0,
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[
0,
0,
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[
0,
0,
0.0039195
],
[
0,
0,
0.00163598
],
[
0,
0,
0
]
] | -0 | 3.084732 | pbe | true | 50f6e5386fdc5212ed33926837231b2c_166_Ba1Cd2Ag4Au1 |
[
"Ag",
"Au",
"Br",
"Cs"
] | 12 | A6B3C2D | Ag2AuBr6Cs3 | Cs3 Ag2 Au1 Br6 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
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[
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4.80190110400950... | [{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
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... | -0 | -0.213663 | pbe | true | fe9c7c4111cedca5b4e016e4ebfacd9f_164_Cs3Ag2Au1Br6 |
[
"Ag",
"Au",
"Br",
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1,
1,
1
] | 3 | [
[
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0,
0
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0,
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[
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] | 0.845016 | 4.908408 | pbe | true | df330f946703674db3b6496cd2a39953_123_Ag1Au1Se1Br2 |
[
"Ag",
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"Ce",
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1,
1,
1
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0,
0
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"Pa",
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[
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] | 2.434081 | 11.085321 | pbe | true | 04c03c3cba2e485179518c307280093f_216_Ce1Pa1Ag1Au1 |
[
"Ag",
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1,
1,
1
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[
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[
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... | 0 | 2.86128 | pbe | true | e66653f26863b41c4a2facc5a69384b6_5_Ag12Au4Se6S2 |
[
"Ag",
"Ba",
"Br",
"Na"
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1,
1,
1
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[
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0,
0
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[
2.84517999,
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0
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[
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] | 0.699232 | 2.624779 | pbe | true | a1472f903f0c8b895377292572bf879a_216_Ba1Na1Ag1Br1 |
[
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"Cs",
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1,
1,
1
] | 3 | [
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] | 0.682599 | 5.527897 | pbe | true | 653135b7a2a5cf976959581c6b1b043e_123_Cs1Ba2Mg1Ag1 |
[
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"Ba",
"Tb",
"Te"
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1,
1,
1
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[
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0,
0
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[
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1.12995,... | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
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[
0.0... | 0.002 | null | pbe | true | 58df8e7907c4b993d64f83f64342cee4_11_Ba2Tb2Ag2Te6 |
[
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"Bi",
"Ge",
"O"
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1,
1,
1
] | 3 | [
[
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[
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[
5.27696126532... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
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0.0042375... | 0 | 0 | pbe | true | 70eb11e336b074bf2495f100e7935376_15_Ag2Ge4Bi2O12 |
[
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"Bi",
"La",
"Tb"
] | 8 | A4B2CD | Ag2Bi4LaTb | Ag2 Bi4 La1 Tb1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
],
[
0,
4.580362782,
0
],
[
0,
0,
10.461346096
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] | oqmd-6749000 | [
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[
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[
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] | 0.003544 | null | pbe | true | 4eeb39d92bf4c02f20a3a80a0ce31ce7_99_La1Tb1Ag2Bi4 |
[
"Ag",
"Bi",
"K",
"P"
] | 5 | A2BCD | AgBiK2P | K2 Ag1 Bi1 P1 | 4 | [
1,
1,
1
] | 3 | [
[
5.98646188,
0,
0
],
[
0,
5.3220838,
0
],
[
0,
0,
5.98646188
]
] | agm001487811 | [
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[
0,
0,
2.99323094
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[
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[
0,
2.6610419,
0
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[
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] | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"P",
"K",
"K",
"Bi",
"Ag"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
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0
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[
0,
1.4061202,
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[
0,
0,
1.7760081
]
] | -12.185053 | [
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[
0,
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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
]
] | 0.664649 | 4.639379 | pbe | true | 9af154d4322bf12a1c0031d5f5f5fda9_123_K2Ag1Bi1P1 |
[
"Ag",
"Br",
"Cs",
"Sc"
] | 10 | A6B2CD | AgBr6Cs2Sc | Cs2 Sc1 Ag1 Br6 | 4 | [
1,
1,
1
] | 3 | [
[
7.87487816,
0,
0
],
[
3.93743908,
6.81984454,
0
],
[
3.93743908,
2.27328151,
6.42981109
]
] | agm003204697 | [
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[
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[
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[
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[
5.8288902367... | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
"Cs",
"Sc",
"Ag",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.2,
0.1
] | [
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0.84278655,
0,
0
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[
0,
0.84278655,
0
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[
0,
0,
0.84278655
]
] | -35.94491 | [
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[
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[
0,
0.00123398,
0.00087255
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[
-0.00106866,
0.00061699,
-0.0008... | 0.000001 | 0 | pbe | true | 4666ac31a476dd07c5d3843280538cc5_225_Cs2Sc1Ag1Br6 |
[
"Ag",
"Br",
"Cs",
"Sn"
] | 10 | A6B2CD | AgBr6Cs2Sn | Cs2 Ag1 Sn1 Br6 | 4 | [
1,
1,
1
] | 3 | [
[
7.96182394,
0,
0
],
[
0,
7.96182394,
0
],
[
3.98091197,
3.98091197,
5.6588376
]
] | agm004471045 | [
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7.96182394,
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2.8294188
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[
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[
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[
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"Cs",
"Cs",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br",
"Sn",
"Ag"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.2,
0.1
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0
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[
0,
1.2482288,
0
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[
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]
] | -29.704534 | [
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[
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[
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[
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[
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[
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[
0.00471629,
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0
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[
-0.00471629,
0.00471629,
... | 0 | 1.844799 | pbe | true | 1d32998da97329b25e4aec8de918f595_139_Cs2Ag1Sn1Br6 |
[
"Ag",
"Ca",
"Mg",
"Ni"
] | 4 | ABCD | AgCaMgNi | Ca1 Mg1 Ni1 Ag1 | 4 | [
1,
1,
1
] | 3 | [
[
4.81533267,
0,
0
],
[
2.40766633,
4.17020042,
0
],
[
2.40766633,
1.39006681,
3.93170266
]
] | agm001348001 | [
[
2.4076663325,
1.3900668074999998,
0.982925665
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[
4.815332665,
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1.96585133
],
[
0,
0,
0
],
[
7.2229989975,
4.1702004225,
2.9487769950000002
]
] | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Ni",
"Ca",
"Mg",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
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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,
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] | -12.621075 | [
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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
]
] | -0.000023 | 0.875877 | pbe | true | edab3fc0c05ccb71f786bed964d7216e_216_Ca1Mg1Ni1Ag1 |
[
"Ag",
"Ca",
"Pr",
"Sn"
] | 7 | A2B2C2D | Ag2Ca2PrSn2 | Ca2 Pr1 Ag2 Sn2 | 4 | [
1,
1,
1
] | 3 | [
[
4.87124883,
0,
0
],
[
2.43562441,
4.21862523,
0
],
[
2.43562441,
1.40620841,
9.35708077
]
] | agm004549381 | [
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2.4356268225545197,
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5.746134550466188
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[
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[
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2.8124168340620836,
1.9199918481137241
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[
4.8712487996610605,
2.8124168059379158,
... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Ca",
"Ca",
"Pr",
"Ag",
"Ag",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.2857142857142857,
0.14285714285714285,
0.2857142857142857
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0
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[
0,
3.5507083,
0
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[
0,
0,
3.3900425
]
] | -25.88945 | [
0,
0,
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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,
0,
0.00069915
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[
0,
0,
-0.00069915
]
] | 0.000017 | 3.263805 | pbe | true | fd1c8cb1c04432db41adebe29598a74f_166_Ca2Pr1Ag2Sn2 |
[
"Ag",
"Cd",
"Cl",
"Pb"
] | 16 | A5BCD | AgCdCl5Pb | Cd2 Ag2 Pb2 Cl10 | 4 | [
1,
1,
1
] | 3 | [
[
7.36242039,
-0.14633211,
-0.23363967
],
[
-2.28914976,
6.99903139,
-0.23363967
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[
-2.37011012,
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9.28075344
]
] | agm005067349 | [
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4.64037672
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[
0,
0,
0
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[
3.7373128641532194,
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[
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[
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[
2.46794... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
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"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
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[
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[
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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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[
0.00106252,
... | 0.000009 | 0 | pbe | true | 42e5b71943a56eeaa4b075f176972219_15_Cd2Ag2Pb2Cl10 |
[
"Ag",
"Ce",
"In",
"Sr"
] | 4 | ABCD | AgCeInSr | Sr1 Ce1 In1 Ag1 | 4 | [
1,
1,
1
] | 3 | [
[
5.51334999,
0,
0
],
[
2.75667499,
4.77470115,
0
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[
2.75667499,
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] | agm001353383 | [
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[
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[
2.7566749925000003,
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1.1254078525
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[
0,
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0
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Sr",
"Ag",
"Ce",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
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0
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[
0,
2.8533344,
0
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[
0,
0,
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] | -14.094316 | [
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.834268 | 9.751637 | pbe | true | d6134311625fdb3e46a79c40d2a2eade_216_Sr1Ce1In1Ag1 |
[
"Ag",
"Cl",
"Cs",
"In"
] | 12 | A8B2CD | AgCl8CsIn2 | Cs1 In2 Ag1 Cl8 | 4 | [
1,
1,
1
] | 3 | [
[
6.78690243,
-4.1e-7,
0
],
[
3.39345157,
5.87762971,
0
],
[
3.39345133,
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]
] | agm004883551 | [
[
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[
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[
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[
3.393447938289203,
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... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
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"In",
"Ag",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
0.6666666666666666,
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0.16666666666666666
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[
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[
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0
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[
0,
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] | -37.764072 | [
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[
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[
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[
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[
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[
0.00122309,
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0.000962... | 0 | 0 | pbe | true | 8a25e42daa98f6230cd105e952ee7738_148_Cs1In2Ag1Cl8 |
[
"Ag",
"Cl",
"Tl",
"V"
] | 10 | A6B2CD | AgCl6Tl2V | Tl2 V1 Ag1 Cl6 | 4 | [
1,
1,
1
] | 3 | [
[
7.28914163,
0.01130225,
-0.00827291
],
[
3.65431716,
6.31025252,
0.00064328
],
[
3.64081405,
2.11169292,
5.70824542
]
] | agm004931174 | [
[
7.293076162810929,
4.221262825800096,
1.769060228517004
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[
3.6416458577120907,
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[
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[
10.939980805972219,
6.324083950321975,
3.142949230967122
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[
... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"Tl",
"Tl",
"V",
"Ag",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
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] | [
[
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[
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[
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] | -37.59877 | [
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[
0.00520294,
0.00500254... | 2 | 10.548653 | pbe | true | 16a9c2c13f77f9e03d257f5f1a815a62_2_Tl2V1Ag1Cl6 |
[
"Ag",
"Co",
"Re",
"Tc"
] | 5 | A2BCD | Ag2CoReTc | Co1 Re1 Tc1 Ag2 | 4 | [
1,
1,
1
] | 3 | [
[
4.57916482,
0,
0
],
[
0,
4.23491763,
0
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[
0,
0,
4.57916482
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] | agm001549352 | [
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[
0,
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[
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] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Re",
"Co",
"Tc",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.4,
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0.2,
0.2
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[
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] | -26.428802 | [
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[
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[
0,
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] | 0.001377 | 8.937892 | pbe | true | a2b329c1a4a81836fec670dc6f45eebb_123_Co1Re1Tc1Ag2 |
[
"Ag",
"Cr",
"Li",
"Re"
] | 5 | A2BCD | AgCrLiRe2 | Li1 Cr1 Re2 Ag1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.62971813,
0
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[
0,
0,
4.82897422
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] | agm001593348 | [
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0,
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] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Re",
"Re",
"Li",
"Ag",
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] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
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[
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[
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] | -25.379154 | [
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[
0,
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[
0,
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] | 1.179271 | 8.917063 | pbe | true | f0473b2b0d6c66717474f8ae46765f2c_123_Li1Cr1Re2Ag1 |
[
"Ag",
"Cr",
"N",
"Y"
] | 5 | A2BCD | AgCrNY2 | Y2 Cr1 Ag1 N1 | 4 | [
1,
1,
1
] | 3 | [
[
4.96983492,
0,
0
],
[
0,
4.96983492,
0
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[
0,
0,
3.80289802
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] | agm001620713 | [
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[
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] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Y",
"Cr",
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] | 2023-11-16 06:57:59 | [
0.2,
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[
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[
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] | -36.884359 | [
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[
0,
0,
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[
0,
0,
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] | 1.983873 | 3.713302 | pbe | true | 0fe043f52ee57963564338282508338b_123_Y2Cr1Ag1N1 |
[
"Ag",
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"Hg",
"Pb"
] | 5 | A2BCD | AgCsHg2Pb | Cs1 Ag1 Hg2 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
6.16084228,
0
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[
0,
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] | agm001622927 | [
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Pb",
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] | 2023-11-16 06:57:59 | [
0.2,
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[
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[
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[
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[
0,
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] | 0 | 2.455793 | pbe | true | 9be13de21ccc2feb8b8279c0c6439313_123_Cs1Ag1Hg2Pb1 |
[
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] | 18 | A12B3C2D | AgCs2O12U3 | Cs2 U3 Ag1 O12 | 4 | [
1,
1,
1
] | 3 | [
[
7.72719471,
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[
3.71734742,
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[
3.71734742,
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] | agm004492862 | [
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[
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3.21... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
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"O",
"O",
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"O",
"O",
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] | 2023-11-16 06:57:59 | [
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0.000716... | 0.844312 | 5.22357 | pbe | true | 07b3136557e85facc9d3b14ed8436fdf_166_Cs2U3Ag1O12 |
[
"Ag",
"Cs",
"Rb",
"S"
] | 5 | A2BCD | AgCsRb2S | Cs1 Rb2 Ag1 S1 | 4 | [
1,
1,
1
] | 3 | [
[
6.37238746,
0,
0
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[
0,
6.37238746,
0
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[
0,
0,
6.72878224
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] | agm001651966 | [
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[
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[
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[
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
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"Rb",
"Rb",
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] | 2023-11-16 06:57:59 | [
0.2,
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0.4,
0.2
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[
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[
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] | -12.219839 | [
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[
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[
0,
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[
0,
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0
]
] | -0.000002 | -0.008597 | pbe | true | 1ae2cbb785f3e4b7242de7854911e591_123_Cs1Rb2Ag1S1 |
[
"Ag",
"Cs",
"Sn",
"Te"
] | 12 | A3BCD | AgCsSnTe3 | Cs2 Ag2 Sn2 Te6 | 4 | [
1,
1,
1
] | 3 | [
[
5.31154535,
0,
0
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[
-2.65577268,
9.10217255,
1.01454002
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[
0,
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9.2506668
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] | agm005029411 | [
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[
2.6557700413207894,
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7.0887771478295... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
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"Ag",
"Ag",
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"Sn",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
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0.5
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0
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[
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1.2090783,
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[
0,
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] | -38.005583 | [
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[
0,
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[
0,
0.00014301,
... | 0.000012 | 4.491502 | pbe | true | e7a45a4fb8cd6094eb5533d7068a6618_12_Cs2Ag2Sn2Te6 |
[
"Ag",
"Cu",
"F",
"Tl"
] | 11 | A6B2C2D | AgCu2F6Tl2 | Tl2 Cu2 Ag1 F6 | 4 | [
1,
1,
1
] | 3 | [
[
6.09259063,
0,
0
],
[
-3.04629531,
5.70470349,
-0.0426678
],
[
0,
-3.31227723,
5.74416099
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] | agm004577696 | [
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4.356620808045482
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[
0.0000030469302666758932,
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1.34487238195... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
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"Cu",
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"Ag",
"F",
"F",
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"F",
"F",
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] | 2023-11-16 06:57:59 | [
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0.5454545454545454,
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[
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1.5793465,
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[
0,
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] | -42.356097 | [
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0.064,
0.029,
0.04,
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0.04,
0.04,
0.029
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[
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[
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0.00106... | 1.015083 | 6.425082 | pbe | true | dd0c88b47da0cb7511c56e06194f25e0_12_Tl2Cu2Ag1F6 |
[
"Ag",
"Cu",
"La",
"Pt"
] | 5 | A2BCD | Ag2CuLaPt | La1 Cu1 Ag2 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
4.69503696,
0,
0
],
[
0,
5.4735374,
0
],
[
0,
0,
4.69503696
]
] | agm001465739 | [
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[
2.34751848,
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[
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] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Cu",
"Ag",
"Ag",
"Pt",
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] | 2023-11-16 06:57:59 | [
0.4,
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0.2,
0.2
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[
0,
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[
0,
0,
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] | -19.404437 | [
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[
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 2.983806 | pbe | true | 1466aab95923c326a608f97b77c9270f_123_La1Cu1Ag2Pt1 |
[
"Ag",
"Dy",
"In",
"Te"
] | 16 | A4B2CD | AgDy2InTe4 | Dy4 In2 Ag2 Te8 | 4 | [
1,
1,
1
] | 3 | [
[
4.40539508,
0,
0
],
[
-2.20269754,
7.4247012,
0
],
[
0,
0,
15.6450161
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] | agm004779797 | [
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14.52792549757248... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
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"Te",
"Te",
"Te",
"Te",
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"Te",
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... | 0 | -0.004463 | pbe | true | daea6ee376c9ba9eec17171a308f255b_63_Dy4In2Ag2Te8 |
[
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"F",
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1,
1,
1
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0.0013372... | 0.18057 | 0 | pbe | true | 840c3fc328dcae4863edf43eaff231eb_1_Na1Er1Ag2F6 |
[
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] | 7 | A2B2C2D | Ag2Er2SmTl2 | Sm1 Er2 Tl2 Ag2 | 4 | [
1,
1,
1
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0
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... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"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": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Sm",
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] | 0.002013 | 7.426295 | pbe | true | 74f7b033e7b575c8017e7a963cadc659_166_Sm1Er2Tl2Ag2 |
[
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1,
1,
1
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[
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0,
0
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[
2.73365795,
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] | 8.029542 | 1.977286 | pbe | true | e77c7d46d6b431662aa1c5c113707a0e_216_Eu1Th1Ag1Pb1 |
[
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1,
1,
1
] | 3 | [
[
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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": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
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[
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1,
1,
1
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[
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0,
0
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[
3.12957768,
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[
3.12957769,
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[
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[
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[
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0.00... | 1.89157 | 6.785722 | pbe | true | 66a9732abbe1480e7ba55334f62e2d3d_166_K4Ag2Pt2F12 |
[
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"Fe",
"Li",
"Zr"
] | 5 | A2BCD | AgFe2LiZr | Li1 Zr1 Fe2 Ag1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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[
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[
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Li",
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] | -27.10856 | [
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[
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[
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] | 2.676985 | 5.446861 | pbe | true | 7df35cc8472d328e0de8db64ca52d626_123_Li1Zr1Fe2Ag1 |
[
"Ag",
"Fe",
"Pt",
"Zr"
] | 5 | A2BCD | AgFePtZr2 | Zr2 Fe1 Ag1 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
5.05232503,
0,
0
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[
0,
4.44921122,
0
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[
0,
0,
5.05232503
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] | agm001530305 | [
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[
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[
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Zr",
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[
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] | -28.254465 | [
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[
0,
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[
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] | 0.18381 | 7.492477 | pbe | true | b04cddab571ee4d67982f442554f1f27_123_Zr2Fe1Ag1Pt1 |
[
"Ag",
"Gd",
"La",
"Pm"
] | 4 | ABCD | AgGdLaPm | La1 Pm1 Gd1 Ag1 | 4 | [
1,
1,
1
] | 3 | [
[
5.48560636,
0,
0
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[
2.74280318,
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0
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[
2.74280318,
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] | agm001354924 | [
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[
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[
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] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Gd",
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] | 2023-11-16 06:57:59 | [
0.25,
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[
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[
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] | -26.362506 | [
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[
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[
0,
0,
0
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] | -9.337306 | 4.69656 | pbe | true | be4fa89ea9b300ff766303429f58b051_216_La1Pm1Gd1Ag1 |
[
"Ag",
"H",
"Hg",
"Pd"
] | 5 | A2BCD | AgHHg2Pd | Ag1 Hg2 H1 Pd1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
],
[
0,
4.92112655,
0
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[
0,
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] | agm001631918 | [
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"Hg",
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] | -0 | 1.502626 | pbe | true | bb77fba2b119abe4a874acbd5382195d_123_Ag1Hg2H1Pd1 |
[
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1,
1,
1
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[
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1,
1,
1
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[
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1,
1
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] | 0 | 3.926976 | pbe | true | 94cf905665cb46d7d64fa425375ab39c_123_Si1Ag1Te2I1 |
[
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1,
1,
1
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0,
0
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[
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[
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... | 0 | -0.000742 | pbe | true | f463c0f62423bf6867d9c1abbd3db6ed_63_K2Y4Ag2Se8 |
[
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] | 7 | A2B2C2D | Ag2LaPm2Sn2 | La1 Pm2 Ag2 Sn2 | 4 | [
1,
1,
1
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[
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0,
0
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0
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6.... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
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] | 0.000003 | 3.501125 | pbe | true | 94d63b7f290427e7a81a95d2224c1989_166_La1Pm2Ag2Sn2 |
[
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1,
1,
1
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[
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0,
0
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[
0,
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[
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] | -0 | 2.898366 | pbe | true | e0cc8b33b7ad7857fd9666bc2c9df4e5_123_Sr1Li1Mg2Ag1 |
[
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1,
1,
1
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[
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4.... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
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] | 2023-11-16 06:57:59 | [
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[
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0.00101113,... | 0 | 3.851661 | pbe | true | f431226e4b4c4fafeaa80b93ac7d7ada_71_Sr2Li1Zn1Ag6 |
[
"Ag",
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"Na",
"Sr"
] | 5 | A2BCD | AgMg2NaSr | Na1 Sr1 Mg2 Ag1 | 4 | [
1,
1,
1
] | 3 | [
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0,
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[
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[
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] | -0 | 3.363095 | pbe | true | e2416469bc3065be453943f9d1708198_123_Na1Sr1Mg2Ag1 |
[
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1,
1,
1
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[... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
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[
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[
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[
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[
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0.00048,
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],
[
0.00052161,
-0.00048,
-0.00689709
... | 0.000221 | 6.728882 | pbe | true | 544bc49f92e17bb503e0467bccf1a8f0_121_Mg1Zn2Ag1S4 |
[
"Ag",
"Mg",
"Th",
"Zn"
] | 8 | A4B2CD | Ag4Mg2ThZn | Th1 Mg2 Zn1 Ag4 | 4 | [
1,
1,
1
] | 3 | [
[
4.6237491,
0,
0
],
[
2.31187455,
4.00428418,
0
],
[
2.31187455,
1.33476139,
8.85929238
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] | agm004799013 | [
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[
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[
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[
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[
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2.669522797323966,
7.150284824896052
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[
6.9356... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Th",
"Mg",
"Mg",
"Zn",
"Ag",
"Ag",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.125,
0.125
] | [
[
4.5507803,
0,
0
],
[
0,
4.5507803,
0
],
[
0,
0,
4.7696605
]
] | -24.180822 | [
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0,
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0,
0
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[
0,
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[
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[
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[
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[
0,
0,
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],
[
0,
0,
0.00005141
],
[
0,
0,
0.0006007
]
] | 0 | 4.148054 | pbe | true | ac7a94167a7739110eb15f51efb7cc69_166_Th1Mg2Zn1Ag4 |
[
"Ag",
"Mo",
"Ni",
"Pb"
] | 5 | A2BCD | AgMoNi2Pb | Ni2 Ag1 Mo1 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
4.56254877,
0,
0
],
[
0,
5.3285098,
0
],
[
0,
0,
4.56254877
]
] | agm001489057 | [
[
0,
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0
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[
0,
0,
2.281274385
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[
2.281274385,
0,
0
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[
0,
0,
0
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[
2.281274385,
2.6642549,
2.281274385
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] | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Pb",
"Ni",
"Ni",
"Mo",
"Ag"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
-2.7027237,
0,
0
],
[
0,
-3.413792,
0
],
[
0,
0,
-2.7027237
]
] | -23.093016 | [
0,
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,
0,
0
]
] | 0 | 4.82081 | pbe | true | b43374d1802620a3355a6d234e5fda50_123_Ni2Ag1Mo1Pb1 |
[
"Ag",
"N",
"Pd",
"Se"
] | 5 | A2BCD | AgNPdSe2 | Ag1 Pd1 Se2 N1 | 4 | [
1,
1,
1
] | 3 | [
[
5.23905406,
0,
0
],
[
0,
5.23905406,
0
],
[
0,
0,
3.67545734
]
] | agm001796591 | [
[
0,
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0
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[
2.61952703,
0,
0
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[
0,
0,
0
],
[
2.61952703,
2.61952703,
1.83772867
],
[
0,
0,
1.83772867
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] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Se",
"Se",
"Pd",
"Ag",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
0.09670157,
0,
0
],
[
0,
0.09670157,
0
],
[
0,
0,
-0.0076372
]
] | -19.496456 | [
0.084,
0.084,
0.064,
0.019,
0.307
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.751948 | 5.017642 | pbe | true | ca3c0632a7bc0b5bc3616072127e0e50_123_Ag1Pd1Se2N1 |
[
"Ag",
"Nb",
"Pt",
"Rh"
] | 5 | A2BCD | Ag2NbPtRh | Nb1 Ag2 Rh1 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
4.92788528,
0,
0
],
[
0,
4.61528062,
0
],
[
0,
0,
4.92788528
]
] | agm001438274 | [
[
0,
2.30764031,
0
],
[
0,
0,
0
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[
0,
0,
2.46394264
],
[
2.46394264,
0,
0
],
[
2.46394264,
2.30764031,
2.46394264
]
] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Nb",
"Rh",
"Ag",
"Ag",
"Pt"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
6.5675106,
0,
0
],
[
0,
1.1062028,
0
],
[
0,
0,
6.5675106
]
] | -23.39306 | [
0.417,
0.004,
-0.004,
0.008,
-0.032
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.488537 | 5.317516 | pbe | true | 25dfb23ee3a5adfd0a3c49ca3a5cedae_123_Nb1Ag2Rh1Pt1 |
[
"Ag",
"Nb",
"Pt",
"Sc"
] | 5 | A2BCD | AgNb2PtSc | Sc1 Nb2 Ag1 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
4.92750285,
0,
0
],
[
0,
5.00561059,
0
],
[
0,
0,
4.92750285
]
] | agm001573186 | [
[
0,
2.502805295,
0
],
[
0,
0,
2.463751425
],
[
2.463751425,
0,
0
],
[
2.463751425,
2.502805295,
2.463751425
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Sc",
"Nb",
"Nb",
"Ag",
"Pt"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
4.0489483,
0,
0
],
[
0,
4.7249837,
0
],
[
0,
0,
4.0489483
]
] | -32.049483 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 6.405646 | pbe | true | 864c323c0b956a9a144a2f1739695208_123_Sc1Nb2Ag1Pt1 |
[
"Ag",
"O",
"S",
"Tl"
] | 14 | A8B3C2D | AgO8S2Tl3 | Tl3 Ag1 S2 O8 | 4 | [
1,
1,
1
] | 3 | [
[
5.95080176,
0,
0
],
[
-2.97540088,
5.1535455,
0
],
[
0,
0,
7.81320648
]
] | agm004667990 | [
[
-2.9754009006087112e-8,
3.435697017178485,
5.345343801489067
],
[
2.975400909754009,
1.7178484828215148,
2.4678626785109326
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[
0,
0,
0
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[
0,
0,
3.90660324
],
[
-2.9754009006087112e-8,
3.435697017178485,
1.7861972133334534
],
[
... | [{"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": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Tl",
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"Tl",
"Ag",
"S",
"S",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.07142857142857142,
0.5714285714285714,
0.14285714285714285,
0.21428571428571427
] | [
[
0.43181875,
0,
0
],
[
0,
0.43181875,
0
],
[
0,
0,
0.55002016
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] | -73.89184 | [
0,
0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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[
0,
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[
0,
0,
0
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[
0,
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[
0,
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[
0,
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[
0,
0,
0.00121693
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[
0,
0,
-0.00121693
],
[
-0.00290874,
0.00... | 0 | 0 | pbe | true | 5ad0943b2d0b95bd78dd716cabaa51a6_164_Tl3Ag1S2O8 |
[
"Ag",
"O",
"S",
"Zn"
] | 7 | A4BCD | AgO4SZn | Zn1 Ag1 S1 O4 | 4 | [
1,
1,
1
] | 3 | [
[
6.01367871,
-0.00000162,
0
],
[
0.00000162,
6.01367871,
0
],
[
-3.00684017,
-3.00683855,
2.90479836
]
] | agm005056089 | [
[
3.006840165,
3.006838545,
0
],
[
0,
0,
0
],
[
8.074999999774235e-7,
3.0068393525,
1.45239918
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[
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2.3082386426955215
],
[
1.002985194071728,
3.741345651984482,
0.5965597173044783
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[
0.73... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Zn",
"Ag",
"S",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.5714285714285714,
0.14285714285714285,
0.14285714285714285
] | [
[
0.06784646,
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0
],
[
4.9e-7,
0.06784646,
0
],
[
0,
0,
-0.00731573
]
] | -33.985401 | [
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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[
0,
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[
0,
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0
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[
-0.00250653,
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[
0.00154788,
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[
0.00250653,
-0.00154788,
-0.00321694
],
[
-0.00154788,
-0.00250653,
0.00321694
]
] | 0 | 1.319814 | pbe | true | 4f55773f32b06860ed7861746cd5a684_82_Zn1Ag1S1O4 |