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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Dy",
"Fe",
"Pu"
] | 4 | A2BC | DyFe2Pu | Dy1 Pu1 Fe2 | 3 | [
1,
1,
1
] | 3 | [
[
4.70870584,
0,
0
],
[
2.35435292,
4.07785887,
0
],
[
2.35435292,
1.35928629,
3.84464221
]
] | agm001090474 | [
[
4.70870584,
2.71857258,
1.922321105
],
[
2.35435292,
1.35928629,
0.9611605525
],
[
7.0630587600000005,
4.07785887,
2.8834816575
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Pu", "attached"... | [
"Pu",
"Fe",
"Fe",
"Dy"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
3.728826,
0,
0
],
[
0,
3.728826,
0
],
[
0,
0,
3.728826
]
] | -35.540725 | [
5.313,
-1.897,
-1.897,
0.417
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.288368 | 5.572338 | pbe | true | 7dcaf449117ff57813a81a67adc623db_225_Dy1Pu1Fe2 |
[
"Dy",
"Ga",
"Ni"
] | 5 | A2B2C | Dy2GaNi2 | Dy2 Ga1 Ni2 | 3 | [
1,
1,
1
] | 3 | [
[
4.18166987,
-0.00165467,
-0.00112206
],
[
2.08865536,
4.92744271,
0.09842684
],
[
2.08865525,
1.91495918,
4.54117956
]
] | agm002294824 | [
[
4.17948975443178,
2.7220978987116426,
3.349046042337893
],
[
4.17949072556822,
4.118649321288357,
1.2894382976621066
],
[
0,
0,
0
],
[
6.268551619278811,
4.801668623004367,
3.255852637840463
],
[
2.090428860721189,
2.0390785969956338,
1.3... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ga", "attached"... | [
"Ni",
"Ni",
"Ga",
"Dy",
"Dy"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
-2.8522103,
0.36287427,
0.2460467
],
[
0.36287266,
-3.9441068,
-0.9268428
],
[
0.24604847,
-0.9268418,
-3.2056623
]
] | -26.675667 | [
0,
0,
0,
0,
0
] | [
[
-0.00000429,
0.00010827,
-0.00015603
],
[
0.00000429,
-0.00010827,
0.00015603
],
[
0,
0,
0
],
[
-0.00690806,
-0.01357122,
-0.00920233
],
[
0.00690806,
0.01357122,
0.00920233
]
] | 0 | 3.84508 | pbe | true | 69a55023f23c801ee88a110a394d2f65_71_Dy2Ga1Ni2 |
[
"Dy",
"Gd",
"Sc"
] | 4 | A2BC | DyGdSc2 | Gd1 Dy1 Sc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.40938873,
0,
0
],
[
2.70469437,
4.68466806,
0
],
[
2.70469437,
1.56155602,
4.4167474
]
] | agm001097355 | [
[
2.7046943675,
1.56155602,
1.10418685
],
[
8.1140831025,
4.68466806,
3.31256055
],
[
5.409388735,
3.12311204,
2.2083737
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Sc", "attached"... | [
"Sc",
"Sc",
"Gd",
"Dy"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.8609412,
0,
0
],
[
0,
2.8609412,
0
],
[
0,
0,
2.8609412
]
] | -31.030596 | [
0.042,
0.042,
-7.116,
0.091
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -7.040745 | 6.070019 | pbe | true | 7716a41c8c9078a0800d8a1c65523880_225_Gd1Dy1Sc2 |
[
"Dy",
"Gd",
"Sn"
] | 4 | A2BC | DyGd2Sn | Gd2 Dy1 Sn1 | 3 | [
1,
1,
1
] | 3 | [
[
5.43984886,
0,
0
],
[
2.71992443,
4.7110473,
0
],
[
2.71992443,
1.5703491,
4.44161799
]
] | agm001098743 | [
[
2.71992443,
1.5703491,
1.1104044975
],
[
8.15977329,
4.7110473,
3.3312134925
],
[
5.43984886,
3.1406982,
2.220808995
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Dy", "attached"... | [
"Gd",
"Gd",
"Sn",
"Dy"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.8428156,
0,
0
],
[
0,
2.8428156,
0
],
[
0,
0,
2.8428156
]
] | -37.852302 | [
7.195,
7.195,
-0.053,
0.274
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 15.204847 | 3.795694 | pbe | true | eccf0c0c3288df9e7f2c2b9e744937e3_225_Gd2Dy1Sn1 |
[
"Dy",
"Ge",
"Ni"
] | 16 | A3B3C2 | Dy3Ge3Ni2 | Dy6 Ni4 Ge6 | 3 | [
1,
1,
1
] | 3 | [
[
4.20766129,
0,
0
],
[
-2.10383065,
5.15919322,
0
],
[
0,
0,
14.12507708
]
] | agm003329972 | [
[
2.1038285580893885,
4.249392969982151,
5.525324481482262
],
[
0.0000020819106113408545,
0.9098002500178489,
12.587863021482264
],
[
2.1038285580893885,
4.249392969982151,
1.5372140585177376
],
[
0.0000020819106113408545,
0.9098002500178489,
8.59975259851... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ni", "attached"... | [
"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"Ni",
"Ni",
"Ni",
"Ni",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.375,
0.375,
0.25
] | [
[
-1.8158164,
0,
0
],
[
0,
-1.8992391,
0
],
[
0,
0,
-1.9404893
]
] | -91.590192 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
-0.00244057,
0.00226339
],
[
0,
0.00244057,
0.00226339
],
[
0,
-0.00244057,
-0.00226339
],
[
0,
0.00244057,
-0.00226339
],
[
0,
-0.00172779,
0
],
[
0,
0.00172779,
0
],
[
0,
-0.00313889,
0.00413793
],
... | -0.000005 | 5.841074 | pbe | true | 2689f0fb417c595952dc8c559f21d580_63_Dy6Ni4Ge6 |
[
"Dy",
"Ho",
"Pd"
] | 7 | A4B2C | DyHo4Pd2 | Dy1 Ho4 Pd2 | 3 | [
1,
1,
1
] | 3 | [
[
3.90992465,
0,
0
],
[
1.95496232,
3.38609407,
0
],
[
1.95496232,
1.12869802,
15.1318801
]
] | agm003460033 | [
[
3.909924645,
2.257396045,
7.56594005
],
[
5.864885031566636,
3.386092949568292,
13.712499910897934
],
[
5.864886949401968,
3.386094057664611,
4.759319179853066
],
[
1.9549642584333642,
1.1286991404317075,
1.419380189102065
],
[
1.954962340598032,... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pd", "attached"... | [
"Dy",
"Ho",
"Ho",
"Ho",
"Ho",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.5714285714285714,
0.2857142857142857
] | [
[
1.3337922,
0,
0
],
[
0,
1.3337922,
0
],
[
0,
0,
1.1561369
]
] | -35.813251 | [
-0.001,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0.00139341
],
[
0,
0,
0.00248258
],
[
0,
0,
-0.00139341
],
[
0,
0,
-0.00248258
],
[
0,
0,
-0.00126569
],
[
0,
0,
0.00126569
]
] | -0.001643 | 9.155455 | pbe | true | c39c1ee6a9ee3ce06a3d7343c6d9e7f9_166_Dy1Ho4Pd2 |
[
"Dy",
"I",
"Rb"
] | 8 | A5B2C | DyI5Rb2 | Rb2 Dy1 I5 | 3 | [
1,
1,
1
] | 3 | [
[
9.05103776,
0.00107936,
-0.00047673
],
[
0.00128521,
9.05181562,
-0.00048855
],
[
-4.5261035,
-4.5264574,
5.31237593
]
] | agm003471127 | [
[
0.0008832646824589289,
4.525600104838391,
2.6272690321311267
],
[
4.52520504462344,
0.000667934644599538,
2.6272855715935
],
[
4.526203935874456,
4.526438429819014,
5.049162053969117
],
[
6.963964584423451,
2.0881958790872663,
0.25785869426821373
],
... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Rb", "attached": ... | [
"Rb",
"Rb",
"Dy",
"I",
"I",
"I",
"I",
"I"
] | 2023-11-16 06:57:59 | [
0.125,
0.625,
0.25
] | [
[
0.25968987,
-0.00636664,
-0.00248598
],
[
-0.0063666,
0.24470322,
-0.00267764
],
[
-0.00248601,
-0.00267762,
0.2848298
]
] | -25.428389 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00008946,
-0.00005056,
0.00030926
],
[
-0.00004484,
-0.00009394,
0.00028168
],
[
-0.00011458,
-0.00009984,
-0.00232365
],
[
0.0015434,
-0.0022576,
0.00096218
],
[
-0.00151754,
-0.00191615,
0.00120076
],
[
0.00173891,
0.0022... | 0 | 0 | pbe | true | f0c51836be7128763648337ddd530908_107_Rb2Dy1I5 |
[
"Dy",
"In",
"O"
] | 10 | A3BC | Dy3InO | Dy6 In2 O2 | 3 | [
1,
1,
1
] | 3 | [
[
4.76905723,
0,
0.00037741
],
[
0,
4.70402603,
0
],
[
-2.38386432,
-2.35201302,
10.07084549
]
] | agm003704762 | [
[
1.1924296482991712,
2.3520130105967016,
8.869248272146361
],
[
1.1927632617008284,
-5.967015190432812e-10,
1.2019746278536385
],
[
1.1927101398385698,
2.352013013069017,
3.8894933306514563
],
[
1.19248277016143,
-3.0690170930544846e-9,
6.181729569348544
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Dy", "attached": ... | [
"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"In",
"In",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
0.42367133,
0,
-0.00931861
],
[
0,
0.03904567,
0
],
[
-0.0093186,
0,
0.24446183
]
] | -56.444418 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00024361,
0,
0.0008629
],
[
0.00024361,
0,
-0.0008629
],
[
-0.00045221,
0,
-0.00280969
],
[
0.00045221,
0,
0.00280969
],
[
-0.0002522,
0,
-0.00162163
],
[
0.0002522,
0,
0.00162163
],
[
-0.00019194,
0,
-0... | -0.000034 | 5.612925 | pbe | true | c05a462a42340610b1cbd7e3cf7c4e6b_74_Dy6In2O2 |
[
"Dy",
"In",
"Pd"
] | 4 | A2BC | DyInPd2 | Dy1 In1 Pd2 | 3 | [
1,
1,
1
] | 3 | [
[
3.52001044,
0,
0
],
[
0,
4.73114384,
0
],
[
0,
0,
4.73114384
]
] | agm001218853 | [
[
1.76000522,
0,
0
],
[
0,
0,
2.36557192
],
[
0,
2.36557192,
0
],
[
1.76000522,
2.36557192,
2.36557192
]
] | [{"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": "Pd", "attached"... | [
"In",
"Pd",
"Pd",
"Dy"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
4.5327716,
0,
0
],
[
0,
4.286889,
0
],
[
0,
0,
4.286889
]
] | -20.608201 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000005 | 2.284381 | pbe | true | 9ddf97d7741f6b97d2f89576802b5b5f_123_Dy1In1Pd2 |
[
"Dy",
"Ir",
"Ru"
] | 7 | A4B2C | Dy4Ir2Ru | Dy4 Ir2 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
4.601045,
9.8e-7,
1.43747176
],
[
2.07597313,
4.10608656,
1.43747177
],
[
-0.06915632,
-0.04252861,
8.30357757
]
] | agm006004213 | [
[
5.817345135738548,
3.577424385412652,
5.626583304989134
],
[
0.7905166742614518,
0.48613454458734734,
5.551937795010867
],
[
4.160910411909462,
2.558786236834316,
2.846258223609006
],
[
2.446951398090538,
1.504772693165684,
8.332262876390994
],
[
... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ir", "attached"... | [
"Dy",
"Dy",
"Dy",
"Dy",
"Ir",
"Ir",
"Ru"
] | 2023-11-16 06:57:59 | [
0.5714285714285714,
0.2857142857142857,
0.14285714285714285
] | [
[
2.8997066,
-0.0000188,
0.00010215
],
[
-0.0000188,
2.899725,
0.00006269
],
[
0.00010215,
0.00006269,
2.8994107
]
] | -50.116549 | [
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00088937,
-0.00054692,
0.00284668
],
[
0.00088937,
0.00054692,
-0.00284668
],
[
0.00034254,
0.00021065,
-0.00109641
],
[
-0.00034254,
-0.00021065,
0.00109641
],
[
0.00017939,
0.00011032,
-0.0005742
],
[
-0.00017939,
-0.0001... | -0.000011 | 4.133568 | pbe | true | 6239e20d1427b30c96578fa6f7a07079_166_Dy4Ir2Ru1 |
[
"Dy",
"Ir",
"Si"
] | 6 | A3B2C | DyIr3Si2 | Dy1 Si2 Ir3 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
],
[
0,
5.54192114,
0
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[
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] | agm002240145 | [
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... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Si", "attached"... | [
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] | 2023-11-16 06:57:59 | [
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[
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[
0,
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] | 0 | 1.531959 | pbe | true | f17d4840a0c401d50bb70d2fabc42b17_191_Dy1Si2Ir3 |
[
"Dy",
"Ir",
"Sm"
] | 7 | A3B3C | Dy3Ir3Sm | Sm1 Dy3 Ir3 | 3 | [
1,
1,
1
] | 3 | [
[
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0.02533926,
-2.00000168
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[
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] | agm005905433 | [
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... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sm", "attached"... | [
"Sm",
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] | 2023-11-16 06:57:59 | [
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[
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-0.000991... | 0.00001 | 5.72554 | pbe | true | 8893e46ba8990d918bb696ea5d17e754_166_Sm1Dy3Ir3 |
[
"Dy",
"La",
"Mg"
] | 16 | A14BC | Dy14LaMg | La1 Dy14 Mg1 | 3 | [
1,
1,
1
] | 3 | [
[
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0.99647494,
0
],
[
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2.744526941263683... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Mg", "attached"... | [
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"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
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] | 2023-11-16 06:57:59 | [
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[
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-0.000... | 0.000001 | 16.975876 | pbe | true | 8f788d16bd706c041ded6d13d4c0370f_123_La1Dy14Mg1 |
[
"Dy",
"La",
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] | 4 | A2BC | DyLa2Li | Li1 La2 Dy1 | 3 | [
1,
1,
1
] | 3 | [
[
3.63396573,
0,
0
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[
1.81698287,
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0
],
[
1.81698287,
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] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Li", "attached"... | [
"Li",
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"La",
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] | 2023-11-16 06:57:59 | [
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[
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] | 0.000038 | 4.152776 | pbe | true | a4e5ebe656d732886e5eee5aa0ae6f3d_160_Li1La2Dy1 |
[
"Dy",
"La",
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] | 7 | A5BC | Dy5LaNd | La1 Nd1 Dy5 | 3 | [
1,
1,
1
] | 3 | [
[
5.77883412,
0,
0
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[
2.88941706,
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[
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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": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Nd", "attached"... | [
"La",
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] | 2023-11-16 06:57:59 | [
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[
0,
0,
0
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] | -0.001353 | 10.998568 | pbe | true | c685b500807ce911d3004fba03650340_71_La1Nd1Dy5 |
[
"Dy",
"La",
"Tm"
] | 13 | A8B3C2 | Dy3La8Tm2 | La8 Dy3 Tm2 | 3 | [
1,
1,
1
] | 3 | [
[
5.79230201,
0,
0.7770716
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[
0,
7.76672499,
0
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[
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[
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7.479604895104119... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Tm", "attached"... | [
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"La",
"Dy",
"Dy",
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] | 2023-11-16 06:57:59 | [
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[
-0.00... | -0.000002 | 17.027592 | pbe | true | 43be3736cd0455cec6968132e7bfeea5_12_La8Dy3Tm2 |
[
"Dy",
"Nd",
"Y"
] | 13 | A8B4C | Dy8Nd4Y | Nd4 Dy8 Y1 | 3 | [
1,
1,
1
] | 3 | [
[
9.74052793,
-0.00076548,
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[
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[
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[
1.46215376963... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Y", "attached":... | [
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] | 2023-11-16 06:57:59 | [
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[
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-0.0004... | 1.491444 | 20.451548 | pbe | true | 12be2e45a2fd7b279e860fe125ee7ed3_221_Nd4Dy8Y1 |
[
"Dy",
"O",
"Pr"
] | 12 | ABC | DyOPr | Pr4 Dy4 O4 | 3 | [
1,
1,
1
] | 3 | [
[
5.22024566,
0,
0
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[
-2.61012283,
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[
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[
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... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Pr", "attached": ... | [
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"O",
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] | 2023-11-16 06:57:59 | [
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... | 0.000004 | 9.178206 | pbe | true | d1e62c1c046696e9e6802bac7dff25b0_74_Pr4Dy4O4 |
[
"Dy",
"Np",
"S"
] | 12 | A7B4C | Dy4NpS7 | Dy4 Np1 S7 | 3 | [
1,
1,
1
] | 3 | [
[
3.81888554,
0,
0
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[
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[
0,
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] | agm006073865 | [
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[
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4.53266761515... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Np", "attached": ... | [
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] | 2023-11-16 06:57:59 | [
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] | -83.204352 | [
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0,
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[
0,
0.00008612,
-0... | 4.409279 | 8.775921 | pbe | true | 3e18ebbb16a8672ebf573c4f46ae5d28_8_Dy4Np1S7 |
[
"Dy",
"Pb",
"Pm"
] | 17 | A10B6C | DyPb10Pm6 | Pm6 Dy1 Pb10 | 3 | [
1,
1,
1
] | 3 | [
[
6.57587541,
0,
0
],
[
0,
8.25956432,
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[
0,
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] | agm006097618 | [
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... | 0 | 12.611115 | pbe | true | 9db532e275bb9a4e5cbb771b968dfb9f_162_Pm6Dy1Pb10 |
[
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1,
1
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0.0020685... | 0.000072 | 10.510719 | pbe | true | 2c122fdf9103baaaaf8f4b1b90673efa_164_Dy4Rh6Pb2 |
[
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1,
1,
1
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[
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1.041004220313... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Y", "attached":... | [
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... | 0.000146 | 22.07891 | pbe | true | dbf3023f04bbfa15227c7a5351eb26db_12_Pr1Dy4Y7 |
[
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1,
1,
1
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0,
0
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[
0,
6.47602399,
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... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pt", "attached"... | [
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0... | 0.000357 | 13.665017 | pbe | true | 5085ed6d5b2d8a7d049bac64a5cd8ae6_59_Dy2Pt6Rh2 |
[
"Dy",
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] | 4 | A2BC | Dy2PtTm | Dy2 Tm1 Pt1 | 3 | [
1,
1,
1
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[
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0,
0
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[
0,
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"Tm",
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] | 0.000635 | 4.895423 | pbe | true | e8fc5646428d92e341f0774c1bcabb1b_123_Dy2Tm1Pt1 |
[
"Dy",
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1,
1,
1
] | 3 | [
[
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[
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[
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] | 2023-11-16 06:57:59 | [
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[... | 4.039802 | 15.848196 | pbe | true | 6e573fe405c19e7eeb836358ba9c80c4_121_Sm3Dy8Pu1 |
[
"Dy",
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1,
1,
1
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0,
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[
0,
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[
2.8117... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Rh", "attached"... | [
"Tb",
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"Dy",
"Dy",
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] | 2023-11-16 06:57:59 | [
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[
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[
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... | -0.000015 | 6.785028 | pbe | true | 46568d9d79c611ccdc460f080a239461_63_Tb2Dy4Rh4 |
[
"Dy",
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] | 12 | A8B3C | Dy3Rh8Tm | Dy3 Tm1 Rh8 | 3 | [
1,
1,
1
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0,
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[
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] | agm005991523 | [
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[
... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Tm", "attached"... | [
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] | 2023-11-16 06:57:59 | [
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[
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[
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[
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-0.0019... | 0 | 7.181409 | pbe | true | ae824029870bdc566963054b4bc746a8_160_Dy3Tm1Rh8 |
[
"Dy",
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] | 20 | A5B3C2 | Dy5Sm3Tb2 | Tb4 Sm6 Dy10 | 3 | [
1,
1,
1
] | 3 | [
[
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[
0.29315682,
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[
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] | agm005601789 | [
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[
4.133539349753683,
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[
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-0.000863... | 0 | 38.254086 | pbe | true | 9edfa723c90f95bc407e2f7d0c6bb05b_15_Tb4Sm6Dy10 |
[
"Dy",
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] | 16 | A4B3C | DySm4Tm3 | Sm8 Dy2 Tm6 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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[
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] | agm005913069 | [
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[
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[
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-0.0004429... | -0.000001 | 9.317466 | pbe | true | 7b0e08ceea6ca534aab92e477a1d2e4a_160_Y3Er1Ir8 |
[
"Er",
"La",
"Pm"
] | 19 | A12B5C2 | Er2La12Pm5 | La12 Pm5 Er2 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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] | agm005676358 | [
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0.00127236... | -0.000026 | 29.722637 | pbe | true | 62188cb05d8bfea3aa97940683600f6f_12_La12Pm5Er2 |
[
"Er",
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] | 9 | A4B3C2 | Er4La2Pr3 | La2 Pr3 Er4 | 3 | [
1,
1,
1
] | 3 | [
[
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... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Er", "attached"... | [
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] | 2023-11-16 06:57:59 | [
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... | -0.001446 | 13.641972 | pbe | true | c6472c63f0933afae7c24e742619fdc3_2_La2Pr3Er4 |
[
"Er",
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] | 10 | A5B4C | Er5MgTb4 | Tb4 Er5 Mg1 | 3 | [
1,
1,
1
] | 3 | [
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0
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[
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... | -0.000001 | 13.613747 | pbe | true | 55500708de4f6a60f9eed18da32dc9e1_123_Tb4Er5Mg1 |
[
"Er",
"Mg",
"Tl"
] | 8 | A3B3C2 | Er3Mg3Tl2 | Er3 Mg3 Tl2 | 3 | [
1,
1,
1
] | 3 | [
[
4.92303664,
0,
0
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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": "Mg", "attached"... | [
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] | 0.453595 | 4.159775 | pbe | true | 5ce3244799bf24814d8676d0908b3c98_47_Er3Mg3Tl2 |
[
"Er",
"N",
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] | 10 | A5B4C | ErN5Th4 | Er1 Th4 N5 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
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[
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[
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"Er",
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] | 2023-11-16 06:57:59 | [
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[
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-0.000... | -0.000041 | 3.580249 | pbe | true | 96bc260e0cec8d6ca42aad200e4daf54_87_Er1Th4N5 |
[
"Er",
"Na",
"Te"
] | 12 | A6B5C | Er5NaTe6 | Na1 Er5 Te6 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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[
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[
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... | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Er", "attached"... | [
"Na",
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"Te",
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] | 2023-11-16 06:57:59 | [
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... | -0.000037 | 5.720597 | pbe | true | 7d3cf9415d77b108d8ba37f0254ff9ed_12_Na1Er5Te6 |
[
"Er",
"Nd",
"Tb"
] | 29 | A16B7C6 | Er6Nd7Tb16 | Tb16 Nd7 Er6 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
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[
3.23871573,
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[
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] | agm005721000 | [
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[
1... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Er", "attached"... | [
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] | 2023-11-16 06:57:59 | [
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... | 0.000718 | 54.218464 | pbe | true | 7a67f60e22f96c78c80af4e26b0f5f7c_225_Tb16Nd7Er6 |
[
"Er",
"Nd",
"Tm"
] | 10 | A7B2C | Er2Nd7Tm | Nd7 Er2 Tm1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
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[
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[
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[
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... | [{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Er", "attached"... | [
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] | 2023-11-16 06:57:59 | [
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] | -40.575159 | [
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... | -0.001142 | 15.071194 | pbe | true | 5ba3d5d268d2af51b5a6a8b14130168c_65_Nd7Er2Tm1 |
[
"Er",
"Nd",
"Y"
] | 12 | A9B2C | Er9NdY2 | Nd1 Y2 Er9 | 3 | [
1,
1,
1
] | 3 | [
[
3.49280415,
0,
0
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[
0,
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[
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] | agm003536515 | [
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[
1.74640207... | [{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Y", "attached":... | [
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"Y",
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"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"Er"
] | 2023-11-16 06:57:59 | [
0.75,
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0.16666666666666666
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[
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... | -0.000325 | 17.298002 | pbe | true | fad1831fbd253a11a730d5e220ac1166_191_Nd1Y2Er9 |
[
"Er",
"O",
"Tb"
] | 6 | A4BC | ErO4Tb | Er1 O4 Tb1 | 3 | [
1,
1,
1
] | 3 | [
[
3.392107991,
-1.842085139,
0
],
[
3.392107991,
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0
],
[
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6.096930093
]
] | oqmd-6525416 | [
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[
2.29868,
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[
3.818999999999999,
-2.2422... | [{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tb", "attached": ... | [
"Er",
"O",
"O",
"O",
"O",
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] | 2024-11-01 00:00:00 | [
0.16666666666666666,
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] | 0.001086 | null | pbe | true | 96d4591703e8b3e0cb0af53cdea654f5_8_Tb1Er1O4 |
[
"Er",
"O",
"Sr"
] | 28 | A4B2C | Er2O4Sr | Sr4 Er8 O16 | 3 | [
1,
1,
1
] | 3 | [
[
3.39494874,
0,
0
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[
0,
10.10602778,
0
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[
0,
0,
11.90648797
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] | agm003236706 | [
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[
0.84873718... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Sr", "attached": ... | [
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] | 2023-11-16 06:57:59 | [
0.2857142857142857,
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[
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... | -0 | 0 | pbe | true | 8e198797ef886a631a651acb6691b8e8_62_Sr4Er8O16 |
[
"Er",
"O",
"V"
] | 20 | A3BC | ErO3V | Er4 V4 O12 | 3 | [
1,
1,
1
] | 3 | [
[
5.29198449,
0,
0
],
[
0,
5.71782821,
0
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[
0,
0,
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] | agm003225454 | [
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2.5336479653839614,
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[
0,
2.8589141... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "V", "attached": n... | [
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[
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[
0.... | 8.000008 | -0.000071 | pbe | true | 63e1f99b13fef5440a8760d40e47ad81_62_Er4V4O12 |
[
"Er",
"Os",
"Pr"
] | 4 | A2BC | Er2OsPr | Pr1 Er2 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
3.46281993,
0,
0
],
[
1.73140997,
2.99889003,
0
],
[
1.73140997,
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10.94717089
]
] | agm001971288 | [
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0,
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[
1.7314117003376133,
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5.194228169662387,
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] | [{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Er", "attached"... | [
"Pr",
"Os",
"Er",
"Er"
] | 2023-11-16 06:57:59 | [
0.5,
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0.25
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[
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[
0,
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[
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] | -24.25597 | [
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[
0,
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[
0,
0,
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]
] | 0.000038 | 6.058083 | pbe | true | b0f95bafa401f76356674bb5cc3d337d_166_Pr1Er2Os1 |
[
"Er",
"Pd",
"Pt"
] | 7 | A3B2C2 | Er3Pd2Pt2 | Er3 Pd2 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
4.89168198,
0.39724639,
-1.00388194
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[
-2.45042054,
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],
[
0.25716211,
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] | agm005557922 | [
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[
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2.2093949170548566... | [{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Pd", "attached"... | [
"Er",
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] | 2023-11-16 06:57:59 | [
0.42857142857142855,
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[
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] | -43.248321 | [
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... | 0.000003 | 3.374617 | pbe | true | 57373fb142c26c1cae5112889def124b_2_Er3Pd2Pt2 |
[
"Er",
"Pd",
"Te"
] | 11 | A7B2C2 | Er7Pd2Te2 | Er7 Te2 Pd2 | 3 | [
1,
1,
1
] | 3 | [
[
3.93621911,
0,
0
],
[
1.96810955,
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[
1.96810955,
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]
] | agm003320737 | [
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[
... | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Te", "attached"... | [
"Er",
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"Er",
"Er",
"Er",
"Er",
"Er",
"Te",
"Te",
"Pd",
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] | 2023-11-16 06:57:59 | [
0.6363636363636364,
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[
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[
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] | -56.928058 | [
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[
0,
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-... | -0.000006 | 10.029975 | pbe | true | 8c29bd295376e921ac8790856118b721_44_Er7Te2Pd2 |
[
"Er",
"Pt",
"Y"
] | 12 | A3B2C | ErPt3Y2 | Y4 Er2 Pt6 | 3 | [
1,
1,
1
] | 3 | [
[
3.44631675,
0,
0
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[
0,
4.95965248,
0
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[
0,
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14.90112307
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] | agm005855256 | [
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[
0.001552841401215,
2.47982624,
7.45056... | [{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
"Y",
"Y",
"Y",
"Er",
"Er",
"Pt",
"Pt",
"Pt",
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] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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[
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[
... | 0.000034 | 6.328217 | pbe | true | 50d94365d6f5040e99e1913f10a3d07b_65_Y4Er2Pt6 |
[
"Er",
"Rh",
"Si"
] | 14 | A7B4C3 | Er3Rh7Si4 | Er3 Si4 Rh7 | 3 | [
1,
1,
1
] | 3 | [
[
3.87180763,
0,
0.97675751
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[
1.40271098,
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[
0.01198996,
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]
] | agm005697010 | [
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1.527714316612655,
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3.7587942533873453,
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[
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[
2.0774993155330357,
... | [{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Si", "attached"... | [
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"Si",
"Si",
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"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
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] | 2023-11-16 06:57:59 | [
0.21428571428571427,
0.5,
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[
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[
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] | -101.476849 | [
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[
0.00068349,
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],
... | -0.000001 | 5.106387 | pbe | true | bdab85bebe5b9545d191e05c43ed456a_12_Er3Si4Rh7 |
[
"Er",
"Sm",
"Tl"
] | 30 | A12B2C | Er2Sm12Tl | Sm24 Er4 Tl2 | 3 | [
1,
1,
1
] | 3 | [
[
6.60878654,
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],
[
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],
[
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24.37727115
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] | agm005791240 | [
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2.5596722008337474,
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[
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[
... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Sm", "attached"... | [
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"Sm",
"Sm",
"Sm",
"Er",
"Er",
"Er",
"Er",
"Tl",
"Tl"
] | 2023-11-16 06:57:59 | [
0.13333333333333333,
0.8,
0.06666666666666667
] | [
[
0.6274484,
-0.03470942,
-5.7e-7
],
[
-0.03470942,
0.6274484,
-6.7e-7
],
[
-5.7e-7,
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0.5946387
]
] | -133.022495 | [
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] | [
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[
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[
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[
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-0.0... | -0.000016 | 41.83051 | pbe | true | 4df3a322362b0d78135554cc8fdfe025_67_Sm24Er4Tl2 |
[
"Eu",
"Ga",
"P"
] | 4 | A2BC | Eu2GaP | Eu2 Ga1 P1 | 3 | [
1,
1,
1
] | 3 | [
[
4.10122065,
0,
0
],
[
2.05061032,
3.55176127,
0
],
[
2.05061032,
1.18392042,
9.62693425
]
] | agm001952907 | [
[
2.050612371716582,
1.183921605026682,
6.431970126944172
],
[
6.151828918283418,
3.551760084973318,
3.194964123055827
],
[
4.101220645000001,
2.367840845,
4.813467125
],
[
0,
0,
0
]
] | [{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Eu", "attached": ... | [
"Eu",
"Eu",
"P",
"Ga"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
0.93662876,
0,
0
],
[
0,
0.93662876,
0
],
[
0,
0,
0.99111974
]
] | -30.781465 | [
6.828,
6.828,
-0.098,
0.06
] | [
[
0,
0,
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],
[
0,
0,
0.01188461
],
[
0,
0,
0
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[
0,
0,
0
]
] | 14.310368 | 14.964428 | pbe | true | ec4885ca3820dceae27ae8034f52bc96_166_Eu2Ga1P1 |
[
"Eu",
"Hf",
"Zn"
] | 4 | A2BC | EuHfZn2 | Eu1 Hf1 Zn2 | 3 | [
1,
1,
1
] | 3 | [
[
3.43150269,
0,
0
],
[
0,
3.43150269,
0
],
[
0,
0,
7.30729262
]
] | agm001139531 | [
[
1.715751345,
1.715751345,
3.65364631
],
[
0,
0,
5.8032268803371565
],
[
0,
0,
1.5040657396628436
],
[
1.715751345,
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0
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Eu", "attached"... | [
"Eu",
"Zn",
"Zn",
"Hf"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.836141,
0,
0
],
[
0,
2.836141,
0
],
[
0,
0,
2.9538002
]
] | -23.416216 | [
6.886,
0.003,
0.003,
0.041
] | [
[
0,
0,
0
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[
0,
0,
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],
[
0,
0,
0.00646152
],
[
0,
0,
0
]
] | 7.262124 | 3.057156 | pbe | true | dde85daec147b1d058b8cfd18f5fe51c_123_Eu1Hf1Zn2 |
[
"Eu",
"Hf",
"Pr"
] | 4 | A2BC | EuHfPr2 | Pr2 Eu1 Hf1 | 3 | [
1,
1,
1
] | 3 | [
[
3.55477909,
0,
0
],
[
0,
3.55477909,
0
],
[
0,
0,
10.37908618
]
] | agm001816732 | [
[
1.777389545,
1.777389545,
5.18954309
],
[
0,
0,
2.2582142107750918
],
[
0,
0,
8.120871969224908
],
[
1.777389545,
1.777389545,
0
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Eu", "attached"... | [
"Eu",
"Pr",
"Pr",
"Hf"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.7897396,
0,
0
],
[
0,
1.7897396,
0
],
[
0,
0,
1.6278241
]
] | -29.162768 | [
-6.968,
0.002,
0.002,
0.076
] | [
[
0,
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0
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[
0,
0,
0.00418833
],
[
0,
0,
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[
0,
0,
0
]
] | -7.285047 | 5.582008 | pbe | true | 41da57d67741a541712ea8e63aaa8f19_123_Pr2Eu1Hf1 |
[
"Eu",
"Hg",
"Pr"
] | 3 | ABC | EuHgPr | Pr1 Eu1 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
3.87946532,
0,
0
],
[
0,
5.32452289,
0
],
[
0,
-2.66226144,
4.61117208
]
] | agm001275993 | [
[
3.715231298044709,
0,
0
],
[
1.5235499827935248,
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3.074114735370574
],
[
2.5201493591617656,
2.662261473289281,
1.5370573446294264
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Eu", "attached"... | [
"Eu",
"Pr",
"Hg"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
3.2376022,
0,
0
],
[
0,
3.3615901,
0
],
[
0,
0,
3.3615901
]
] | -15.947323 | [
6.865,
0.024,
0.004
] | [
[
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0,
0
],
[
-0.00057232,
0,
0
],
[
0.00346431,
0,
0
]
] | 7.195522 | 2.713775 | pbe | true | 1638d521c7fdba8668e8b03030661470_156_Pr1Eu1Hg1 |
[
"Eu",
"Hg",
"O"
] | 14 | A4B2C | Eu2HgO4 | Eu4 Hg2 O8 | 3 | [
1,
1,
1
] | 3 | [
[
3.75971275,
0,
0
],
[
1.87985538,
6.97846555,
-0.01024903
],
[
1.87985538,
1.5439394,
8.77009648
]
] | agm003214048 | [
[
3.7597138746779217,
2.3443900535399576,
4.7617768517358465
],
[
3.759709635322078,
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3.9980705982641527
],
[
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6.99994636893136
],
[
1.879853806649814,
3.603383259866922,
1.759901081068639
],
[
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Eu", "attached": ... | [
"Eu",
"Eu",
"Eu",
"Eu",
"Hg",
"Hg",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.14285714285714285,
0.5714285714285714
] | [
[
0.48742896,
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],
[
-7e-8,
0.46652392,
0.03495234
],
[
-6e-8,
0.03495231,
0.58736587
]
] | -109.700012 | [
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6.274,
6.274,
0.002,
0.002,
0.063,
0.063,
-0.087,
-0.087,
-0.09,
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0.139,
0.139
] | [
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[
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[
0,
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[
0,
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[
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],
[
0,
0.00264995,
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],
[
0,
0.00242497,
... | 0.077956 | 28.978037 | pbe | true | 366333c4d117cec8c78ae1299597e984_12_Eu4Hg2O8 |
[
"Eu",
"I",
"Si"
] | 6 | A3B2C | Eu3I2Si | Eu3 Si1 I2 | 3 | [
1,
1,
1
] | 3 | [
[
4.52522808,
0.00007014,
-0.00014916
],
[
0.00012797,
6.3768128,
-0.00012799
],
[
-2.26291111,
-3.18874984,
7.20457064
]
] | agm002318889 | [
[
-0.0005094293207236657,
-0.0009906304106775212,
5.246818595357361
],
[
0,
0,
0
],
[
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3.1891237304106776,
1.9574748946426392
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[
0.0003458271324360014,
3.1872038499019957,
4.620993244185721
],
[
2.2620991128675643,
0.000929... | [{"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Eu", "attached": ... | [
"Eu",
"Eu",
"Eu",
"I",
"I",
"Si"
] | 2023-11-16 06:57:59 | [
0.5,
0.3333333333333333,
0.16666666666666666
] | [
[
3.6422544,
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0.00840688
],
[
-0.02648943,
1.7492338,
-0.01457125
],
[
0.00840688,
-0.0145711,
1.7608646
]
] | -45.434206 | [
6.843,
-6.868,
6.843,
-0.007,
-0.007,
-0.019
] | [
[
0.00061399,
0.00120607,
0.04095498
],
[
0,
0,
0
],
[
-0.00061399,
-0.00120607,
-0.04095498
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[
-0.00107479,
0.00135915,
0.00853697
],
[
0.00107479,
-0.00135915,
-0.00853697
],
[
0,
0,
0
]
] | 6.991706 | 0.926437 | pbe | true | f8a19648decb38be53eba4ef98b916e1_71_Eu3Si1I2 |
[
"Eu",
"Ir",
"Y"
] | 4 | A2BC | EuIrY2 | Eu1 Y2 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
4.06806314,
0,
0
],
[
2.03403157,
3.52304603,
0
],
[
2.03403157,
1.17434868,
9.37888103
]
] | agm001936167 | [
[
4.06806314,
2.348697355,
4.689440515
],
[
2.034033583691254,
1.1743498397890844,
1.4553054942714008
],
[
6.102092696308746,
3.523044870210916,
7.923575535728601
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}, {"mass": null, "name": "Eu", "attached": ... | [
"Eu",
"Y",
"Y",
"Ir"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.2064884,
0,
0
],
[
0,
2.2064884,
0
],
[
0,
0,
2.152782
]
] | -33.577915 | [
7.007,
0.034,
0.034,
0.012
] | [
[
0,
0,
0
],
[
0,
0,
-0.00873557
],
[
0,
0,
0.00873557
],
[
0,
0,
0
]
] | 7.715808 | 3.35849 | pbe | true | 931cf83b81e2ab2165ed50b2a8429460_166_Eu1Y2Ir1 |
[
"Eu",
"Ir",
"Lu"
] | 4 | A2BC | Eu2IrLu | Eu2 Lu1 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
3.89641158,
0,
0
],
[
1.94820579,
3.37439141,
0
],
[
1.94820579,
1.12479714,
9.50458187
]
] | agm002006203 | [
[
1.948207757687848,
1.1247982737769422,
3.037191227566512
],
[
5.844615402312153,
3.3743902762230578,
6.4673906424334895
],
[
3.89641158,
2.2495942749999998,
4.752290935
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Eu", "attached"... | [
"Eu",
"Eu",
"Ir",
"Lu"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
2.5519853,
0,
0
],
[
0,
2.5519853,
0
],
[
0,
0,
2.4682312
]
] | -33.753598 | [
-6.745,
-6.745,
0.33,
-0.294
] | [
[
0,
0,
0.00358217
],
[
0,
0,
-0.00358217
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -14.226987 | 8.29864 | pbe | true | ea2ad27e8e292d8bff48152b63f5e8ec_166_Eu2Lu1Ir1 |
[
"Eu",
"La",
"Pt"
] | 4 | A2BC | EuLaPt2 | La1 Eu1 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
5.1246616,
0,
0
],
[
2.5623308,
4.43808713,
0
],
[
2.5623308,
1.47936238,
4.18426868
]
] | agm005282742 | [
[
0,
0,
0
],
[
5.1246616,
2.9587247550000004,
2.09213434
],
[
2.5623308,
1.4793623775000002,
1.04606717
],
[
7.686992399999999,
4.438087132500001,
3.13820151
]
] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Eu", "attached"... | [
"La",
"Eu",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
4.5234704,
0,
0
],
[
0,
4.5234704,
0
],
[
0,
0,
4.5234704
]
] | -31.42806 | [
0.055,
6.785,
-0.011,
-0.011
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.106875 | 8.491715 | pbe | true | 146edcba39667a2e1b0b5bcbbd8a8eeb_225_La1Eu1Pt2 |
[
"Eu",
"La",
"Zn"
] | 4 | A2BC | Eu2LaZn | La1 Eu2 Zn1 | 3 | [
1,
1,
1
] | 3 | [
[
3.74449524,
0,
0
],
[
0,
3.74449524,
0
],
[
0,
0,
9.381865
]
] | agm001139755 | [
[
0,
0,
7.54139273842765
],
[
0,
0,
1.8404722615723499
],
[
1.87224762,
1.87224762,
0
],
[
1.87224762,
1.87224762,
4.6909325
]
] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Eu", "attached"... | [
"Eu",
"Eu",
"Zn",
"La"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.6385813,
0,
0
],
[
0,
1.6385813,
0
],
[
0,
0,
1.8551686
]
] | -27.1013 | [
-6.873,
-6.873,
-0.013,
-0.051
] | [
[
0,
0,
0.00024082
],
[
0,
0,
-0.00024082
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -14.497599 | 8.264418 | pbe | true | 10daca2c02405198625572fdbea7e84d_123_La1Eu2Zn1 |
[
"Eu",
"Mo",
"Si"
] | 12 | ABC | EuMoSi | Eu4 Si4 Mo4 | 3 | [
1,
1,
1
] | 3 | [
[
3.75953029,
0,
0
],
[
0,
7.59156647,
0
],
[
0,
0,
8.61310161
]
] | agm002243074 | [
[
0.9398825725,
4.061722261275599,
7.2511210684294225
],
[
2.8196477174999997,
3.5298442087244006,
1.3619805415705772
],
[
0.9398825725,
0.2659390262755995,
5.6685313465705764
],
[
2.8196477174999997,
7.325627443724401,
2.9445702634294224
],
[
2.81... | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Eu", "attached"... | [
"Eu",
"Eu",
"Eu",
"Eu",
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"Mo",
"Mo",
"Mo",
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"Si",
"Si",
"Si"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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[
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[
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-0... | 28.667698 | 18.71561 | pbe | true | d28c44aa83e5df3f31bb6eed2ea1fb59_62_Eu4Si4Mo4 |
[
"Eu",
"N",
"Ni"
] | 4 | A2BC | EuN2Ni | Eu1 Ni1 N2 | 3 | [
1,
1,
1
] | 3 | [
[
3.29031962,
0.00007516,
-0.00018737
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[
1.6452249,
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[
1.64514836,
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] | agm002292282 | [
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[
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"Eu",
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] | 2023-11-16 06:57:59 | [
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[
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[
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[
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] | -33.061524 | [
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] | 6.995637 | 2.18143 | pbe | true | e604da30fc982728fca5bcac9a89fc9a_166_Eu1Ni1N2 |
[
"Eu",
"N",
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] | 8 | A2BC | EuN2Ta | Eu2 Ta2 N4 | 3 | [
1,
1,
1
] | 3 | [
[
3.94726341,
0,
0
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[
0,
3.94726341,
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[
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] | agm002292317 | [
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[
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4.02... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Eu", "attached": ... | [
"Eu",
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"N",
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] | 2023-11-16 06:57:59 | [
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0.08,
0.08,
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] | -14.949096 | 3.751898 | pbe | true | fa0ef0fd0d319d79d336bfe0741fd8d5_129_Eu2Ta2N4 |
[
"F",
"Na",
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] | 28 | A11B2C | F11NaPa2 | Na2 Pa4 F22 | 3 | [
1,
1,
1
] | 3 | [
[
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2e-8,
3.99754189
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[
3.56001412,
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2.52573495
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[
0.29352125,
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] | agm005737161 | [
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[
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1.31555005... | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Na", "attached": ... | [
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"F",
"F",
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] | 2023-11-16 06:57:59 | [
0.7857142857142857,
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[
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[
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-0.00... | -0 | 0 | pbe | true | 9c6d18b8bf31abfdc755d19d0543d133_72_Na2Pa4F22 |
[
"Eu",
"Os",
"Si"
] | 12 | ABC | EuOsSi | Eu4 Si4 Os4 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
],
[
0,
6.06240333,
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[
0,
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] | agm002318821 | [
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[... | [{"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Eu", "attached"... | [
"Eu",
"Eu",
"Eu",
"Eu",
"Si",
"Si",
"Si",
"Si",
"Os",
"Os",
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] | 2023-11-16 06:57:59 | [
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[
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] | -111.537127 | [
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0.011,
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0.011,
0.011,
0.192,
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[
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[
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[
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[
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0.001... | -26.769766 | 25.549456 | pbe | true | ceb74098d2e171b03379f5b44e0ee480_14_Eu4Si4Os4 |
[
"Eu",
"Pd",
"Y"
] | 4 | A2BC | EuPdY2 | Eu1 Y2 Pd1 | 3 | [
1,
1,
1
] | 3 | [
[
3.58941456,
0,
0
],
[
0,
3.58941456,
0
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[
0,
0,
9.01688862
]
] | agm001123717 | [
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[
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[
0,
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[
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] | [{"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Eu", "attached": ... | [
"Eu",
"Y",
"Y",
"Pd"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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[
0,
2.5661657,
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[
0,
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] | -29.892264 | [
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[
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[
0,
0,
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[
0,
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] | -8.181853 | 4.082933 | pbe | true | 8f4a89cb76f98d434b285dce649c334a_123_Eu1Y2Pd1 |
[
"Eu",
"Pr",
"Pt"
] | 4 | A2BC | Eu2PrPt | Pr1 Eu2 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
3.66174477,
0,
0
],
[
0,
3.66174477,
0
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[
0,
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9.21158857
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] | agm001120023 | [
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[
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[
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],
[
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0
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] | [{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Eu", "attached"... | [
"Eu",
"Eu",
"Pr",
"Pt"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0,
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[
0,
3.7988374,
0
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[
0,
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]
] | -33.141135 | [
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0.03,
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[
0,
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[
0,
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[
0,
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] | 14.247082 | 13.40659 | pbe | true | 435581d0c649fecb82213b32812584c2_123_Pr1Eu2Pt1 |
[
"Ga",
"Hg",
"Y"
] | 3 | ABC | GaHgY | Y1 Ga1 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.45942613,
3.45942613
],
[
3.45942613,
0,
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],
[
3.45942613,
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0
]
] | agm003066589 | [
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[
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],
[
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
"Hg",
"Ga"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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[
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] | -10.0588 | [
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[
0,
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[
0,
0,
0
]
] | -0 | 2.385043 | pbe | true | e88fb64029aeb9899d553ac54f89eab9_216_Y1Ga1Hg1 |
[
"Eu",
"Sb",
"Se"
] | 10 | A3BC | EuSbSe3 | Eu2 Sb2 Se6 | 3 | [
1,
1,
1
] | 3 | [
[
9.39026407,
4e-8,
0
],
[
-0.00001114,
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0
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[
0,
0,
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]
] | agm2000093209 | [
[
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[
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[
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[
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],
... | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Eu", "attached"... | [
"Eu",
"Eu",
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"Sb",
"Se",
"Se",
"Se",
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] | 2023-11-16 06:57:59 | [
0.2,
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0.6
] | [
[
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[
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[
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] | -55.996089 | [
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0.001,
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[
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[
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[
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[
... | 13.294621 | 21.574297 | pbe | true | f3f81e9d6ff26550568e8c4f52676bd5_8_Eu2Sb2Se6 |
[
"Eu",
"Sc",
"Tm"
] | 4 | A2BC | EuSc2Tm | Eu1 Tm1 Sc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.45031713,
0,
0
],
[
2.72515857,
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0
],
[
2.72515857,
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4.4501653
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] | agm001097351 | [
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[
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[
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4.72011309,
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[
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] | [{"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Eu", "attached"... | [
"Eu",
"Sc",
"Sc",
"Tm"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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0,
0
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[
0,
3.047158,
0
],
[
0,
0,
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] | -26.698314 | [
6.775,
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] | [
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0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 6.655182 | 6.98995 | pbe | true | 3dd500b9ac863d082005e7218bd3ce2e_225_Eu1Tm1Sc2 |
[
"Eu",
"Se",
"Sm"
] | 4 | A2BC | EuSeSm2 | Sm2 Eu1 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
3.90959285,
0,
0
],
[
1.95479643,
3.38580673,
0
],
[
1.95479643,
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] | agm002001021 | [
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[
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[
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7.025279718386278
],
[
5.864387306764155,
3.3858055890031884,
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] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Eu", "attached"... | [
"Eu",
"Se",
"Sm",
"Sm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.2769471,
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0
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[
0,
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[
0,
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] | -25.824735 | [
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[
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],
[
0,
0,
-0.00143337
],
[
0,
0,
0.00143337
]
] | 7.347708 | 3.679314 | pbe | true | 4c6a164477bef0e9a09dac7b975b92e3_166_Sm2Eu1Se1 |
[
"Eu",
"Sm",
"Th"
] | 4 | A2BC | EuSmTh2 | Sm1 Eu1 Th2 | 3 | [
1,
1,
1
] | 3 | [
[
3.56452641,
0,
0
],
[
0,
3.56452641,
0
],
[
0,
0,
10.64091113
]
] | agm001161768 | [
[
1.782263205,
1.782263205,
5.320455565
],
[
1.782263205,
1.782263205,
0
],
[
0,
0,
2.572539119741897
],
[
0,
0,
8.068372010258102
]
] | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Eu", "attached"... | [
"Eu",
"Sm",
"Th",
"Th"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.0567055,
0,
0
],
[
0,
1.0567055,
0
],
[
0,
0,
1.3447692
]
] | -29.239074 | [
-6.892,
0.01,
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-0.046
] | [
[
0,
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[
0,
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0
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[
0,
0,
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[
0,
0,
0.00725919
]
] | -7.405828 | 5.653842 | pbe | true | a7f9ba3459a5e3304298afbd82684af5_123_Sm1Eu1Th2 |
[
"F",
"Fe",
"Zr"
] | 5 | A3BC | F3FeZr | Zr1 Fe1 F3 | 3 | [
1,
1,
1
] | 3 | [
[
4.06029947,
0,
0
],
[
0,
4.06029947,
0
],
[
0,
0,
4.06029947
]
] | agm002471269 | [
[
0,
0,
0
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[
2.030149735,
2.030149735,
2.030149735
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[
0,
2.030149735,
0
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[
0,
0,
2.030149735
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[
2.030149735,
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]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Fe", "attached": ... | [
"Fe",
"Zr",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
2.1084836,
0,
0
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[
0,
2.1084836,
0
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[
0,
0,
2.1084836
]
] | -24.015328 | [
1.7,
1.451,
0.019,
0.032,
-0.016
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[
0,
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 3.833032 | 6.153753 | pbe | true | 32b01b881b5600ecdbbfee667b7b8207_221_Zr1Fe1F3 |
[
"F",
"Ge",
"K"
] | 8 | A2BC | F2GeK | K2 Ge2 F4 | 3 | [
1,
1,
1
] | 3 | [
[
5.3475872,
0,
0
],
[
0,
5.3475872,
0
],
[
2.6737936,
2.6737936,
6.40413685
]
] | agm002824203 | [
[
0,
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0
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[
5.3475872,
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3.202068425
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[
2.6737936,
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[
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[
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1.3368968,
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[
1.02487284088144,
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1.6010342125
]... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "K", "attached": n... | [
"Ge",
"Ge",
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"K",
"F",
"F",
"F",
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] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
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[
0,
0.9685538,
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[
0,
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1.8569714
]
] | -31.618601 | [
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[
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[
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[
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0,
0
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[
0,
-0.00519762,
0
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[
0,
0.00519762,
0
]
] | 0 | 3.709552 | pbe | true | e7cd2049a7c3a1e121dcb60917b38fcf_122_K2Ge2F4 |
[
"F",
"H",
"K"
] | 14 | A8B5C | F8HK5 | K5 H1 F8 | 3 | [
1,
1,
1
] | 3 | [
[
6.95035982,
-0.31698328,
0.54491229
],
[
-2.64999472,
6.43315586,
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],
[
-1.65035007,
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] | agm003681235 | [
[
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[
3.108558837801536,
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[
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3.7183349638207552
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[
2.650004875,
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3.203175885
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[
0.68990498641... | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "F", "attached": nul... | [
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"K",
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"K",
"H",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.5714285714285714,
0.07142857142857142,
0.35714285714285715
] | [
[
1.9454513,
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[
0.00794136,
1.9511586,
0.00958891
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[
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] | -51.738613 | [
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0.001,
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0.323,
0.323,
0.128,
0.128,
0.128,
0.323,
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] | [
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[
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[
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[
0.00287602,
0.0028073... | 2.001538 | 10.81349 | pbe | true | 3801e3740b43512cf452c046e13068c1_82_K5H1F8 |
[
"F",
"Hf",
"Rh"
] | 4 | A2BC | FHf2Rh | Hf2 Rh1 F1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.22534573,
3.22534573
],
[
3.22534573,
0,
3.22534573
],
[
3.22534573,
3.22534573,
0
]
] | agm002672159 | [
[
3.22534573,
3.22534573,
3.22534573
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[
1.612672865,
1.612672865,
1.612672865
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[
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[
0,
0,
0
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Rh", "attached": ... | [
"Rh",
"Hf",
"Hf",
"F"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.8220719,
0,
0
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[
0,
0.8220719,
0
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[
0,
0,
0.8220719
]
] | -32.904068 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 | 4.204982 | pbe | true | 040c3f276a090c2bd6cc9db13c17bb89_225_Hf2Rh1F1 |
[
"F",
"Hf",
"Re"
] | 5 | A3BC | FHfRe3 | Hf1 Re3 F1 | 3 | [
1,
1,
1
] | 3 | [
[
4.26871447,
0,
0
],
[
0,
4.26871447,
0
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[
0,
0,
4.26871447
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] | agm002467217 | [
[
0,
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0
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[
0,
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[
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0,
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[
2.134357235,
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2.134357235
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[
0,
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Re", "attached": ... | [
"Re",
"Re",
"Re",
"Hf",
"F"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
0.9336172,
0,
0
],
[
0,
0.9336172,
0
],
[
0,
0,
0.9336172
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] | -44.777102 | [
0.001,
0,
0,
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
]
] | -0.000001 | 5.6896 | pbe | true | 882eed4ebe29d9e92b5e023c2934016a_221_Hf1Re3F1 |
[
"F",
"Hf",
"W"
] | 8 | A2BC | FHf2W | Hf4 W2 F2 | 3 | [
1,
1,
1
] | 3 | [
[
6.86267978,
0,
0
],
[
0,
6.86267978,
0
],
[
3.43133989,
3.43133989,
3.13541134
]
] | agm002827806 | [
[
4.615430227834685,
1.715669945,
0.783852835
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[
2.2472495521653144,
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0.783852835
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[
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2.351558505
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[
0,
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[
... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "W", "attached": n... | [
"Hf",
"Hf",
"Hf",
"Hf",
"W",
"W",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
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[
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0,
0
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[
0,
0.24311635,
0
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[
0,
0,
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]
] | -59.777086 | [
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-0.178,
1.993,
1.991,
0.002,
0.002
] | [
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[
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[
0,
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[
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[
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.489916 | 6.096526 | pbe | true | 0d27f02b678f0395527b32628d671d33_122_Hf4W2F2 |
[
"F",
"Hg",
"Np"
] | 7 | A4B2C | F4Hg2Np | Np1 Hg2 F4 | 3 | [
1,
1,
1
] | 3 | [
[
4.52978584,
0,
0
],
[
0,
4.52978584,
0
],
[
2.26489292,
2.26489292,
9.87301221
]
] | agm001080525 | [
[
0,
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[
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[
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[
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2.264890677756009,
7.793... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Np", "attached": ... | [
"Np",
"Hg",
"Hg",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.5714285714285714,
0.2857142857142857,
0.14285714285714285
] | [
[
2.011817,
0,
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[
0,
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0
],
[
0,
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]
] | -38.066064 | [
3.316,
0,
0,
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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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[
0,
0,
0.00121356
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[
0,
0,
0
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[
0,
0,
0
]
] | 3.255983 | 9.039856 | pbe | true | 9ce16cbac0ece1bd88c602cf32051365_139_Np1Hg2F4 |
[
"F",
"I",
"O"
] | 5 | A2B2C | F2IO2 | I1 O2 F2 | 3 | [
1,
1,
1
] | 3 | [
[
3.74923086,
0,
0
],
[
0,
3.74923086,
0
],
[
0,
0,
4.34585741
]
] | agm001741537 | [
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1.87461543,
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2.172928705
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[
0,
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0
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[
1.87461543,
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[
0,
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[
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "I", "attached": nul... | [
"I",
"O",
"O",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
2.9382937,
0,
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[
0,
2.9382937,
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[
0,
0,
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] | -11.012448 | [
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0.331,
0.331,
0.117,
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] | [
[
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[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.853247 | 3.649379 | pbe | true | f405331bd0863d0104f2810dd65cab49_123_I1O2F2 |
[
"F",
"In",
"U"
] | 28 | A11B2C | F11In2U | U2 In4 F22 | 3 | [
1,
1,
1
] | 3 | [
[
6.89099089,
0,
3.59182243
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[
3.11331998,
7.41836008,
2.43319699
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[
0.0005771,
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8.40506128
]
] | agm005739287 | [
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7.5036659775,
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10.822560525
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[
2.5012219925,
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3.607520175
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[
3.5254851490058186,
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7.826122589520649
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[
6.546627391974328,
... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "F", "attached": n... | [
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"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
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] | 2023-11-16 06:57:59 | [
0.7857142857142857,
0.14285714285714285,
0.07142857142857142
] | [
[
2.529909,
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[
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[
0.16952991,
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] | -154.702751 | [
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0.001,
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0.001,
0.001,
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[
0.00228481,
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[
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0.0029... | 2.002793 | 4.925931 | pbe | true | 21c5321269872db0f8d9712e3504affa_72_U2In4F22 |
[
"F",
"Ir",
"Se"
] | 8 | A2BC | FIrSe2 | Ir2 Se4 F2 | 3 | [
1,
1,
1
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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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0.000... | 0.719228 | 0 | pbe | true | d52ee8c59bc91a43152a2fb72aa5b43f_62_K8Sm4F20 |
[
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] | 0.002587 | 2.691985 | pbe | true | de5ae4a7cf6737b5e314e3e3f7ab41c0_187_La1P1F1 |
[
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] | 1.494544 | 2.110462 | pbe | true | 94859df131672d175c8281ccf312aa11_166_Li1Ni1F2 |
[
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1
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[
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[
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1.850816265
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] | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "N", "attached": n... | [
"Mg",
"N",
"N",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
2.9972742,
0,
0
],
[
0,
2.9972742,
0
],
[
0,
0,
2.2455287
]
] | -18.752678 | [
0.016,
1.739,
1.739,
-0.027,
0.107
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 5.247541 | 6.923854 | pbe | true | a95be223e64935c7de19da4381f57a3d_123_Mg1N2F2 |
[
"F",
"Mn",
"Se"
] | 5 | A3BC | FMnSe3 | Mn1 Se3 F1 | 3 | [
1,
1,
1
] | 3 | [
[
3.34894179,
-0.01215289,
0
],
[
-0.12424699,
7.36221278,
0
],
[
0,
0,
18.57984293
]
] | agm2000055167 | [
[
2.116671888613616,
1.933132324471952,
9.289921279201572
],
[
0.44442474299303564,
0.4565397911570225,
11.07984296258825
],
[
0.4444247082611478,
0.4565398649006792,
7.500000153210182
],
[
0.3207000394058136,
6.322945856683024,
9.289921465
],
[
0.... | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "F", "attached":... | [
"Mn",
"Se",
"Se",
"Se",
"F"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
0.13851634,
0.08011004,
0
],
[
0.08011006,
0.11161251,
0
],
[
0,
0,
-0.1618738
]
] | -23.493207 | [
4.598,
-0.063,
-0.063,
-0.015,
0.052
] | [
[
0.00472912,
0.00517437,
0
],
[
0.00006667,
-0.00080879,
0.00160935
],
[
0.00006667,
-0.00080879,
-0.00160935
],
[
-0.00062267,
-0.00105201,
0
],
[
-0.00423979,
-0.00250478,
0
]
] | 4.679855 | 1.507208 | pbe | true | 7d58709c24ab17be922d8c5ea20f0cae_6_Mn1Se3F1 |
[
"F",
"Mo",
"Na"
] | 8 | A6BC | F6MoNa | F6 Mo1 Na1 | 3 | [
1,
1,
1
] | 3 | [
[
5.19616196,
-2e-8,
3.00000483
],
[
1.73205362,
4.89898808,
3.00000483
],
[
-2e-8,
-1e-8,
6.00001072
]
] | mp-504778 | [
[
0,
0,
0
],
[
3.4641077800000004,
2.449494025,
6.000010189999999
],
[
4.4095845243269,
1.11238817176716,
4.3623966341356795
],
[
5.355061014928096,
3.7865998727741377,
6.000009930688842
],
[
1.5731545450719038,
1.1123881772258621,
6.000010... | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Na", "attached": ... | [
"Mo",
"Na",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2013-05-22 23:57:58 | [
0.75,
0.125,
0.125
] | [
[
-0.04216021,
0,
0
],
[
0,
-0.0421602,
0
],
[
0,
0,
-0.0421602
]
] | -39.634968 | [] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00163097,
0.00230654,
0.00282492
],
[
-0.00326193,
-0.00230654,
0
],
[
0.00326193,
0.00230654,
0
],
[
-0.00163097,
0.00230654,
-0.00282492
],
[
0.00163097,
-0.00230654,
0.002824... | null | -1.49133 | pbe | true | f255936b0c5975af0f812b8704e8f04f_225_Na1Mo1F6 |
[
"F",
"Na",
"Nb"
] | 16 | A6BC | F6NaNb | F6 Na1 Nb1 | 3 | [
1,
1,
1
] | 3 | [
[
4.722384885,
0,
0
],
[
0,
4.722384885,
0
],
[
0,
0,
8.73796369
]
] | oqmd-5610763 | [
[
1.3659300000000012,
1.410189999999999,
0.84896
],
[
3.3564499999999984,
3.3121900000000006,
0.84896
],
[
3.7269999999999985,
0.9953800000000012,
2.1844899999999954
],
[
0.9953800000000012,
3.7269999999999985,
2.1844899999999954
],
[
1.41018999999... | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Nb", "attached": ... | [
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"Na",
"Na",
"Nb",
"Nb"
] | 2024-11-01 00:00:00 | [
0.75,
0.125,
0.125
] | [
[
92.21900606,
0,
0
],
[
0,
92.21900606,
0
],
[
0,
0,
88.49780524
]
] | -92.7973 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
-0.001,
-0.001
] | [
[
-0.005677,
-0.025552,
-0.051734
],
[
0.005677,
0.025552,
-0.051734
],
[
-0.008119,
0.008119,
0
],
[
0.008119,
-0.008119,
0
],
[
-0.025552,
-0.005677,
0.051734
],
[
0.025552,
0.005677,
0.051734
],
[
0.005677,
-0... | -0.023138 | null | pbe | true | 1a88fc874ac4e8ad9ff12562c143689b_116_Na2Nb2F12 |