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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Hf",
"Pt",
"Sn"
] | 12 | ABC | HfPtSn | Hf4 Sn4 Pt4 | 3 | [
1,
1,
1
] | 3 | [
[
4.26994708,
0,
0
],
[
0,
6.95315768,
0
],
[
0,
0,
8.00892039
]
] | agm002189082 | [
[
3.2024603099999998,
3.2843172855850504,
5.698230087425714
],
[
1.06748677,
0.1922615544149496,
1.6937698924257139
],
[
3.2024603099999998,
6.760896125585051,
6.315150497574286
],
[
1.06748677,
3.6688403944149504,
2.310690302574286
],
[
1.06748677... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pt", "attached"... | [
"Hf",
"Hf",
"Hf",
"Hf",
"Sn",
"Sn",
"Sn",
"Sn",
"Pt",
"Pt",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
5.648839,
0,
0
],
[
0,
5.6220107,
0
],
[
0,
0,
4.983633
]
] | -87.621665 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.00427027,
0.00250903
],
[
0,
-0.00427027,
0.00250903
],
[
0,
0.00427027,
-0.00250903
],
[
0,
-0.00427027,
-0.00250903
],
[
0,
-0.00123,
0.0031178
],
[
0,
-0.00123,
-0.0031178
],
[
0,
0.00123,
-0.003117... | 0 | 2.813273 | pbe | true | ca696b8bbffdbae2aabab5994f4badc8_62_Hf4Sn4Pt4 |
[
"Hf",
"Rh",
"Te"
] | 4 | A2BC | HfRhTe2 | Hf1 Te2 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
2.08348795,
0,
9.0148683
],
[
-1.04174398,
1.8043535,
9.0148683
],
[
-1.04174398,
-1.8043535,
9.0148683
]
] | agm002779089 | [
[
0,
0,
0
],
[
-9.05888073738462e-9,
-8.711010785702911e-17,
24.499385207219593
],
[
-9.411191873835678e-10,
1.128240397800795e-18,
2.545219692780408
],
[
-4.999999969612645e-9,
0,
13.52230245
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Rh", "attached"... | [
"Rh",
"Te",
"Te",
"Hf"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
3.1546915,
0,
0
],
[
0,
3.1546915,
0
],
[
0,
0,
6.663573
]
] | -23.770178 | [
0.573,
0.005,
0.005,
0.025
] | [
[
0,
0,
0
],
[
0,
0,
-0.00963265
],
[
0,
0,
0.00963265
],
[
0,
0,
0
]
] | 0.635997 | 4.087301 | pbe | true | 5a7e40b1f4c94b0cdfdfaabf010cf046_166_Hf1Te2Rh1 |
[
"Hf",
"Ru",
"Sb"
] | 4 | A2BC | HfRu2Sb | Hf1 Sb1 Ru2 | 3 | [
1,
1,
1
] | 3 | [
[
3.48620777,
0,
0
],
[
0,
4.40717659,
0
],
[
0,
0,
4.40717659
]
] | agm001221741 | [
[
1.743103885,
0,
0
],
[
1.743103885,
2.203588295,
2.203588295
],
[
0,
0,
2.203588295
],
[
0,
2.203588295,
0
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ru", "attached"... | [
"Sb",
"Hf",
"Ru",
"Ru"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
5.6613817,
0,
0
],
[
0,
5.8130364,
0
],
[
0,
0,
5.8130364
]
] | -34.488012 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001 | 1.52496 | pbe | true | 1cc923cfcd70b7983ceb1f534dfaf709_123_Hf1Sb1Ru2 |
[
"Hf",
"S",
"Sc"
] | 11 | A7B2C2 | Hf2S7Sc2 | Hf2 Sc2 S7 | 3 | [
1,
1,
1
] | 3 | [
[
3.65427415,
0,
0
],
[
1.82713708,
7.86378137,
-0.01248444
],
[
1.82713708,
3.7175422,
6.92958103
]
] | agm003320519 | [
[
5.481411232567779,
9.13078448613822,
4.621417526350706
],
[
1.8271370774322206,
3.1831281318350717,
1.0691021767121212
],
[
1.8271370800000002,
6.999334992201295,
1.4348617221325068
],
[
3.654274155,
5.032139462202068,
4.728545371729107
],
[
3.65... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Sc", "attached": ... | [
"Hf",
"Hf",
"Sc",
"Sc",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.18181818181818182,
0.6363636363636364,
0.18181818181818182
] | [
[
0.44186473,
0,
0
],
[
0,
0.6264197,
0.02630688
],
[
0,
0.02630688,
0.5980861
]
] | -78.643852 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
-0.00040531,
-0.00011835
],
[
0,
0.00029638,
0.00030074
],
[
0,
-0.00010387,
0.0001739
],
[
0,
-0.00067528,
0.00113063
],
[
0,
0.00113202,
-0.0019495
],
[
0,
-0.0007497,
0.00158598
],
[
0,
0.00004827,
-0... | 0 | 0.397235 | pbe | true | 4fe4bb6c01ace72a6be0af0f6908ecd7_44_Hf2Sc2S7 |
[
"Hf",
"Sc",
"Zr"
] | 5 | A3BC | HfScZr3 | Hf1 Zr3 Sc1 | 3 | [
1,
1,
1
] | 3 | [
[
4.99911654,
0,
0
],
[
0,
4.99911654,
0
],
[
0,
0,
4.99911654
]
] | agm002594572 | [
[
0,
0,
0
],
[
2.49955827,
2.49955827,
2.49955827
],
[
0,
2.49955827,
0
],
[
0,
0,
2.49955827
],
[
2.49955827,
0,
0
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Sc", "attached"... | [
"Sc",
"Hf",
"Zr",
"Zr",
"Zr"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
4.656556,
0,
0
],
[
0,
4.656556,
0
],
[
0,
0,
4.656556
]
] | -36.537012 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000021 | 10.985175 | pbe | true | 8c14e4da2b3448eb0eaaab75f8b07921_221_Hf1Zr3Sc1 |
[
"Hf",
"Se",
"Sm"
] | 4 | A2BC | HfSeSm2 | Sm2 Hf1 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
3.6437275,
0,
0
],
[
1.82186375,
3.15556058,
0
],
[
1.82186375,
1.05185352,
10.06593695
]
] | agm002000901 | [
[
0,
0,
0
],
[
3.6437275,
2.10370705,
5.032968475
],
[
1.8218655900823875,
1.0518545844140907,
6.982697178686115
],
[
5.465589409917612,
3.1555595155859093,
3.0832397713138846
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Sm", "attached"... | [
"Hf",
"Se",
"Sm",
"Sm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.4304525,
0,
0
],
[
0,
1.4304525,
0
],
[
0,
0,
1.1970114
]
] | -23.89845 | [
0.62,
-0.002,
0.126,
0.126
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00216767
],
[
0,
0,
-0.00216767
]
] | 1.304094 | 3.75106 | pbe | true | ac8e6cf5f0e94381a721cfd707e6856b_166_Sm2Hf1Se1 |
[
"Hf",
"Se",
"U"
] | 8 | A5B2C | HfSe5U2 | Hf1 U2 Se5 | 3 | [
1,
1,
1
] | 3 | [
[
4.71030997,
0.0000031,
-0.00000311
],
[
0.00000312,
6.90354479,
0
],
[
-0.00000414,
0,
6.90354479
]
] | agm005978747 | [
[
0,
0,
0
],
[
2.355156545,
3.451773945,
-0.000001555
],
[
2.355152915,
0.00000155,
3.45177084
],
[
-7.435637718e-7,
5.032574316512391,
5.032574316512391
],
[
-0.0000021724244934,
1.870970473487609,
5.032574316512391
],
[
4.71031112... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "U", "attached":... | [
"Hf",
"U",
"U",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.125,
0.625,
0.25
] | [
[
1.9191747,
0.00000216,
-0.00000246
],
[
0.00000216,
1.9892952,
0
],
[
-0.00000246,
0,
1.9892952
]
] | -54.698661 | [
0.048,
2.94,
2.94,
-0.059,
-0.059,
-0.059,
-0.022,
-0.059
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0.00457027,
0.00457027
],
[
0,
-0.00457027,
0.00457027
],
[
0,
0.00457027,
-0.00457027
],
[
0,
0,
0
],
[
0,
-0.00457027,
-0.00457027
]
] | 6.064867 | 8.420602 | pbe | true | 3943cbd105fa3c1afcabf77b7f55a4cb_123_Hf1U2Se5 |
[
"Hf",
"Sm",
"Y"
] | 4 | A2BC | HfSm2Y | Sm2 Y1 Hf1 | 3 | [
1,
1,
1
] | 3 | [
[
4.02458664,
0,
0
],
[
0,
4.02458664,
0
],
[
0,
0,
7.35681166
]
] | agm001124143 | [
[
2.01229332,
2.01229332,
3.67840583
],
[
2.01229332,
2.01229332,
0
],
[
0,
0,
5.724819598693811
],
[
0,
0,
1.6319920613061891
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
"Hf",
"Sm",
"Sm"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.0990584,
0,
0
],
[
0,
2.0990584,
0
],
[
0,
0,
2.025848
]
] | -25.001495 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00473674
],
[
0,
0,
-0.00473674
]
] | -0.000005 | 5.414389 | pbe | true | 0f1157b2823ed714c5cf7b12387a1c1b_123_Sm2Y1Hf1 |
[
"Hf",
"Sn",
"Tb"
] | 6 | ABC | HfSnTb | Tb2 Hf2 Sn2 | 3 | [
1,
1,
1
] | 3 | [
[
4.36414274,
0,
0
],
[
0,
4.36414274,
0
],
[
0,
0,
8.20627375
]
] | agm003601706 | [
[
0,
2.18207137,
6.875905885058687
],
[
2.18207137,
0,
1.3303678649413124
],
[
2.18207137,
2.18207137,
4.103136875
],
[
0,
0,
4.103136875
],
[
0,
2.18207137,
1.9256623694868247
],
[
2.18207137,
0,
6.280611380513174
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Sn", "attached"... | [
"Tb",
"Tb",
"Hf",
"Hf",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
2.4221473,
0,
0
],
[
0,
2.4221473,
0
],
[
0,
0,
2.3568702
]
] | -40.342131 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0.00031166
],
[
0,
0,
-0.00031166
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00308096
],
[
0,
0,
-0.00308096
]
] | 0 | 4.849168 | pbe | true | cc19ff72141eb26444e1b3f5dfe450a4_129_Tb2Hf2Sn2 |
[
"Hf",
"Sn",
"Tc"
] | 11 | A8B2C | Hf8SnTc2 | Hf8 Tc2 Sn1 | 3 | [
1,
1,
1
] | 3 | [
[
5.1031567,
-0.16245875,
-0.24383924
],
[
-1.08319905,
7.33539876,
-0.3245792
],
[
-1.08319905,
-3.12472104,
6.6445124
]
] | agm003535368 | [
[
3.003590718031106,
4.442407656709255,
3.9490950272621723
],
[
3.003590718031106,
1.9334845343532676,
5.620673880217268
],
[
0.26761013840716535,
2.4699401202116937,
3.7072076286754667
],
[
1.4683793000000003,
4.723637433357578,
1.239476991455124
],
[... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Tc", "attached"... | [
"Hf",
"Hf",
"Hf",
"Hf",
"Hf",
"Hf",
"Hf",
"Hf",
"Tc",
"Tc",
"Sn"
] | 2023-11-16 06:57:59 | [
0.7272727272727273,
0.09090909090909091,
0.18181818181818182
] | [
[
4.1596446,
-0.03978589,
-0.05971584
],
[
-0.03978596,
4.085157,
-0.01414786
],
[
-0.05971595,
-0.01414786,
4.073348
]
] | -105.03383 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00212689,
-0.00298196,
0.00556746
],
[
-0.00212689,
0.00628645,
-0.00060765
],
[
-0.00487115,
0.00070471,
0.00105772
],
[
0,
-0.00330605,
0.00220267
],
[
0,
0.00330605,
-0.00220267
],
[
0.00487115,
-0.00070471,
-0.00105... | 0.000033 | 11.863347 | pbe | true | afb74f437a8d49d08071f9a78f370243_12_Hf8Tc2Sn1 |
[
"Hf",
"Tc",
"Ti"
] | 4 | A2BC | HfTcTi2 | Hf1 Ti2 Tc1 | 3 | [
1,
1,
1
] | 3 | [
[
4.77983739,
0,
0
],
[
0,
3.82135003,
0
],
[
0,
0,
3.82135003
]
] | agm001228443 | [
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1.910675015
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[
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[
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ti", "attached"... | [
"Hf",
"Tc",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
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[
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[
0,
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],
[
0,
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]
] | -36.40491 | [
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0.478
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[
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[
0,
0,
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[
0,
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[
0,
0,
0
]
] | 1.14949 | 5.06296 | pbe | true | af668c897216a370e803dc6e3a95592e_123_Hf1Ti2Tc1 |
[
"Hf",
"Tc",
"Zr"
] | 7 | A4B2C | HfTc4Zr2 | Hf1 Zr2 Tc4 | 3 | [
1,
1,
1
] | 3 | [
[
5.23373348,
-0.03057877,
-1.8604573
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[
-2.61755769,
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[
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[
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[
-0.00880... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Tc", "attached"... | [
"Hf",
"Zr",
"Zr",
"Tc",
"Tc",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.5714285714285714,
0.2857142857142857
] | [
[
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6.522133,
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[
0.08357656,
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] | -0.00148 | 9.623466 | pbe | true | 56cbda486f9014a8c19952e37cf244c0_139_Hf1Zr2Tc4 |
[
"Hf",
"Te",
"Zn"
] | 5 | A3BC | HfTe3Zn | Hf1 Zn1 Te3 | 3 | [
1,
1,
1
] | 3 | [
[
5.18417502,
0,
0
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[
0,
5.18417502,
0
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[
0,
0,
5.18417502
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] | agm002628815 | [
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[
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[
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Zn", "attached"... | [
"Zn",
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"Te",
"Te",
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] | 2023-11-16 06:57:59 | [
0.2,
0.6,
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0
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[
0,
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[
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] | -18.071051 | [
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[
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[
0,
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[
0,
0,
0
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] | 0 | 3.794424 | pbe | true | 8388268f7bf38228e1b6773715831fd1_221_Hf1Zn1Te3 |
[
"Hf",
"Ti",
"Tl"
] | 8 | A5B2C | HfTi5Tl2 | Hf1 Ti5 Tl2 | 3 | [
1,
1,
1
] | 3 | [
[
3.06710068,
0,
0
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[
1.53355034,
7.25894058,
-0.33466014
],
[
1.53355034,
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7.02330328
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] | agm003480225 | [
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[
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[
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],... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ti", "attached"... | [
"Hf",
"Ti",
"Ti",
"Ti",
"Ti",
"Ti",
"Tl",
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] | 2023-11-16 06:57:59 | [
0.125,
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0.25
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[
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[
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5.1409082,
0.03199425
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[
0,
0.03199425,
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]
] | -53.0361 | [
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0.508,
0.508,
0.508,
0.508,
0.006,
0.006
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[
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[
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[
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[
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[
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[
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[
0,
-0.000... | 2.579759 | 12.081975 | pbe | true | 3c013858fcda6d315760fc370eb2c75c_71_Hf1Ti5Tl2 |
[
"Hf",
"Tl",
"Zn"
] | 5 | A3BC | HfTl3Zn | Hf1 Tl3 Zn1 | 3 | [
1,
1,
1
] | 3 | [
[
5.70749665,
0,
0
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[
0,
5.70749665,
0
],
[
0,
0,
5.70749665
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] | agm002627381 | [
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[
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Zn", "attached"... | [
"Tl",
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"Tl",
"Hf",
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] | 2023-11-16 06:57:59 | [
0.2,
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0.2
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0
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[
0,
3.2099555,
0
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[
0,
0,
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] | -14.819556 | [
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[
0,
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[
0,
0,
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[
0,
0,
0
]
] | 0 | 4.255012 | pbe | true | 3a7f0ec95e4514fd07b49dabc68827b6_221_Hf1Tl3Zn1 |
[
"Hf",
"V",
"Zr"
] | 4 | A2BC | Hf2VZr | Hf2 Zr1 V1 | 3 | [
1,
1,
1
] | 3 | [
[
3.31214219,
0,
0
],
[
0,
3.31214219,
0
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[
0,
0,
7.48260501
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] | agm001156425 | [
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0,
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[
0,
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1.6291021374780859
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[
1.656071095,
1.656071095,
3.741302505
],
[
1.656071095,
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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": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "V", "attached":... | [
"Hf",
"Hf",
"Zr",
"V"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
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0,
0
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[
0,
2.699087,
0
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[
0,
0,
2.4564586
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] | -37.109741 | [
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0.141,
1.54
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 2.290716 | 6.429198 | pbe | true | 5ea67080eb51d3a2710b46e1f57054df_123_Hf2Zr1V1 |
[
"Hg",
"Ho",
"Li"
] | 18 | A5B3C | Hg5Ho3Li | Li2 Ho6 Hg10 | 3 | [
1,
1,
1
] | 3 | [
[
6.18891009,
0,
0
],
[
0,
7.77205747,
-4.48727183
],
[
0,
0.00008524,
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] | agm005974572 | [
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0,
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[
3.094455045,
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[
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[
4.6416825675,
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[
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4.953... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Li", "attached"... | [
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"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.5555555555555556,
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0.1111111111111111
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3.9896495,
0,
0
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[
0,
4.1105003,
0.00002075
],
[
0,
0.00002075,
4.1105247
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] | -41.585648 | [
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0,
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0,
0,
0,
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[
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[
0,
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[
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3e-8,
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[
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[
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[
0,
-3e-8,
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[
0,
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0.... | 0 | 13.126491 | pbe | true | 2e49b5daf7c8f14a224e88aeb53c1c27_193_Li2Ho6Hg10 |
[
"Hg",
"Ho",
"Mg"
] | 12 | A3B2C | Hg3HoMg2 | Ho2 Mg4 Hg6 | 3 | [
1,
1,
1
] | 3 | [
[
5.02982326,
0,
0
],
[
-2.51491213,
4.35595457,
0
],
[
0,
0,
12.33610373
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] | agm005725764 | [
[
-0.000002848245130035508,
2.9039711653181897,
8.188614368806396
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[
2.51491397824513,
1.4519834046818099,
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[
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[
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2.9039711653181897,
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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": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Mg", "attached"... | [
"Ho",
"Ho",
"Mg",
"Mg",
"Mg",
"Mg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.5,
0.16666666666666666,
0.3333333333333333
] | [
[
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0
],
[
-4.9e-7,
4.295628,
0
],
[
0,
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] | -21.732684 | [
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0,
0,
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] | [
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[
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[
0,
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[
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[
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[
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[
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[
0,
0,
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[
0,
0,
0.00487... | -0.000005 | 4.023136 | pbe | true | 5dd830faba6772796ec6885fed60970d_164_Ho2Mg4Hg6 |
[
"Hg",
"Ho",
"Pb"
] | 8 | A6BC | Hg6HoPb | Ho1 Hg6 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
4.6861602,
0,
0
],
[
0,
4.6861602,
0
],
[
0,
0,
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] | agm003775107 | [
[
0,
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[
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0
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[
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[
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[
0,
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2.407877561390338
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[
0,
2.343... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ho", "attached"... | [
"Ho",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Pb"
] | 2023-11-16 06:57:59 | [
0.75,
0.125,
0.125
] | [
[
5.26101,
0,
0
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[
0,
5.26101,
0
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[
0,
0,
5.3945665
]
] | -11.234597 | [
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[
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[
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[
0,
0,
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[
0,
0,
0
]
] | -0.000004 | 5.150522 | pbe | true | 0bbf0758d3cc504baaa335c3618b43b3_123_Ho1Hg6Pb1 |
[
"Hg",
"Ho",
"Rh"
] | 19 | A12B6C | HgHo12Rh6 | Ho12 Hg1 Rh6 | 3 | [
1,
1,
1
] | 3 | [
[
8.01082013,
0,
-2.8322525
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[
-4.00540956,
6.93757334,
-2.8322525
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[
0,
0,
8.49675749
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] | agm006131421 | [
[
1.9548322269939649,
0.7674102894913103,
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[
0.44306480908158946,
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3.458840379154807
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[
2.050578343006036,
6.170163050508689,
-2.8999549488724066
],
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Rh", "attached"... | [
"Ho",
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"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Hg",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.05263157894736842,
0.631578947368421,
0.3157894736842105
] | [
[
3.3104758,
2.4e-7,
0
],
[
2.4e-7,
3.3104756,
0
],
[
0,
0,
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] | -110.765271 | [
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0,
0,
0,
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0,
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] | [
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[
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[
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[
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[
0.00179991,
-0.00214264,
0.00389691
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[
0.00427401,
0.00214264,... | -0.000002 | 19.999388 | pbe | true | ce2ab1646c5a07637a7d83a727025ff8_204_Ho12Hg1Rh6 |
[
"Hg",
"Ho",
"Tb"
] | 16 | A12B3C | Hg12HoTb3 | Tb3 Ho1 Hg12 | 3 | [
1,
1,
1
] | 3 | [
[
4.52358615,
0,
0
],
[
0,
4.52358615,
0
],
[
0,
0,
19.22412057
]
] | agm005932001 | [
[
0,
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[
0,
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9.612060285
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[
0,
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14.431924873626995
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[
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[
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[
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4.794914755986426
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[
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9.6... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ho", "attached"... | [
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"Hg",
"Hg",
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... | -0.000002 | 10.160058 | pbe | true | 302aac0a3bd1fb3df5eebf93e3d0b5c8_123_Tb3Ho1Hg12 |
[
"Hg",
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] | 7 | A4B2C | Hg2HoY4 | Y4 Ho1 Hg2 | 3 | [
1,
1,
1
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[
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[
2.54846657,
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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": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
"Y",
"Y",
"Y",
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"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
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[
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] | -30.979128 | [
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[
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[
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] | 0.000012 | 7.989543 | pbe | true | 1f72d364f2a1326b1c93d5ac8c4ef81d_166_Y4Ho1Hg2 |
[
"Hg",
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] | 11 | A5B4C2 | Hg5I4In2 | In2 Hg5 I4 | 3 | [
1,
1,
1
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[
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[
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7.8861238,
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[
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[
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5.696006... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "I", "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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[
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... | 0 | 1.222195 | pbe | true | 86918f1fabeac6c5083141e489a517bd_10_In2Hg5I4 |
[
"Hg",
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] | 3 | ABC | HgIrTa | Ta1 Hg1 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
4.41657403,
0,
0
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[
2.20828701,
3.82486531,
0
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[
2.20828701,
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] | agm004391262 | [
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[
4.416574024999999,
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Ir", "attached"... | [
"Hg",
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] | 2023-11-16 06:57:59 | [
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] | -18.040227 | [
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[
0,
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[
0,
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] | 0.000414 | 5.460186 | pbe | true | 87963e0c224d1911be84985d9767a55d_216_Ta1Hg1Ir1 |
[
"Hg",
"I",
"Pr"
] | 8 | A6BC | HgI6Pr | Pr1 Hg1 I6 | 3 | [
1,
1,
1
] | 3 | [
[
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0.35539988,
-0.66508708
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[
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[
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[
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[
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1.0877354373182... | [{"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": "I", "attached":... | [
"Pr",
"Hg",
"I",
"I",
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] | 2023-11-16 06:57:59 | [
0.125,
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[
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] | -19.664202 | [
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[
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[
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[
0.00138548,
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[
0.00135234,
0.002017... | 0.000012 | 2.8604 | pbe | true | dfd3b759d8c9908cfb2757ba466a0eca_2_Pr1Hg1I6 |
[
"Hg",
"I",
"Pu"
] | 4 | A2BC | HgIPu2 | Pu2 Hg1 I1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
2.13974223,
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0
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[
2.13974223,
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] | agm001967201 | [
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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": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Pu", "attached": ... | [
"I",
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"Pu"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0,
0
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[
0,
4.5831885,
0
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[
0,
0,
5.462735
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] | -31.118878 | [
-0.046,
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5.665,
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[
0,
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[
0,
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[
0,
0,
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]
] | 12.424218 | 25.063158 | pbe | true | 531111b7d57b9f0647710f658e35a972_166_Pu2Hg1I1 |
[
"Hg",
"I",
"Re"
] | 8 | A2BC | Hg2IRe | Re2 Hg4 I2 | 3 | [
1,
1,
1
] | 3 | [
[
5.30474402,
0,
0
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[
0,
5.30474402,
0
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[
2.65237201,
2.65237201,
9.41644307
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] | agm002840596 | [
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[
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[
0.6688239296545668,
3.9785580150000004,
2.3541... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "I", "attached":... | [
"I",
"I",
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] | 2023-11-16 06:57:59 | [
0.5,
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[
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[
0,
3.8870645,
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[
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] | -19.672725 | [
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2.97,
2.974,
0.005,
0.003,
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0.016
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[
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[
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[
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[
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[
0,
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[
0,
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0
]
] | 7.681675 | 3.624842 | pbe | true | aba1fa28307c4b0846cd2d4dc076e2ff_122_Re2Hg4I2 |
[
"Hg",
"I",
"S"
] | 11 | A5B4C2 | Hg4I5S2 | Hg4 S2 I5 | 3 | [
1,
1,
1
] | 3 | [
[
4.30152081,
0.36286876,
-0.91622298
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[
0.30216635,
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-2.12406158
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[
0.29319344,
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11.4321172
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] | agm005681754 | [
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[
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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": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "I", "attached": n... | [
"Hg",
"Hg",
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"Hg",
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"S",
"I",
"I",
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] | 2023-11-16 06:57:59 | [
0.36363636363636365,
0.45454545454545453,
0.18181818181818182
] | [
[
1.4678295,
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[
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[
0.0240446,
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] | -18.868502 | [
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] | [
[
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[
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[
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[
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[
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[
0.00195844,
-0.0003... | 0 | 2.35753 | pbe | true | 75db9b31bb3f3a5e8207b7f16268bac1_2_Hg4S2I5 |
[
"Hg",
"I",
"Sc"
] | 10 | A3BC | HgI3Sc | Sc2 Hg2 I6 | 3 | [
1,
1,
1
] | 3 | [
[
7.29029005,
0,
-0.27926636
],
[
0,
11.99105841,
0
],
[
-1.87301264,
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] | agm003142034 | [
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[
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[
1.8592720271501966,
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],
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "I", "attached":... | [
"I",
"I",
"I",
"I",
"I",
"I",
"Sc",
"Sc",
"Hg",
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] | 2023-11-16 06:57:59 | [
0.2,
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[
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[
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] | -30.727576 | [
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[
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[
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[
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[
0.00317783,
0,
0.00045701
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[
-0.00317783,
0,
-0.000457... | 0 | 0 | pbe | true | 273588547f03583a062ab60994325b3a_11_Sc2Hg2I6 |
[
"Hg",
"I",
"Tl"
] | 4 | A2BC | HgITl2 | Tl2 Hg1 I1 | 3 | [
1,
1,
1
] | 3 | [
[
4.29508527,
0,
0
],
[
2.14754264,
3.71965296,
0
],
[
2.14754264,
1.23988432,
9.24331302
]
] | agm005122658 | [
[
2.147542660672697,
1.2398843323988433,
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[
2.147542637460383,
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[
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0.0001318096436652
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[
4.295085253533537,
2.479768627601157,
4.646508820850614
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "I", "attached":... | [
"Tl",
"Tl",
"Hg",
"I"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.697445,
0,
0
],
[
0,
2.697445,
0
],
[
0,
0,
2.9537845
]
] | -7.476925 | [
0,
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0
] | [
[
0,
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[
0,
0,
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[
0,
0,
0.00174939
],
[
0,
0,
-0.00019353
]
] | 0 | 1.512868 | pbe | true | 644d0ddcd22986ae2a7b48449e174fc3_160_Tl2Hg1I1 |
[
"Hg",
"I",
"Zr"
] | 5 | A3BC | HgI3Zr | Zr1 Hg1 I3 | 3 | [
1,
1,
1
] | 3 | [
[
5.78532282,
0,
0
],
[
0,
5.78532282,
0
],
[
0,
0,
5.78532282
]
] | agm002630203 | [
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[
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[
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[
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] | -0.000003 | 3.888135 | pbe | true | b651662c4ad7de8a06f739553f60ba2c_139_Mg2In1Hg6 |
[
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1
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[
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1,
1,
1
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0.00206... | 0 | 4.756679 | pbe | true | 7fb207ffea1b1c5fbb7ce912a601d683_2_In8Hg6Pb1 |
[
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1,
1
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... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pu", "attached"... | [
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[
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1,
1
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] | 0.80101 | 3.209819 | pbe | true | 5d50752e39df1bebd834be1b4f7f7663_216_In4Hg1Ru1 |
[
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1,
1,
1
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0
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[
0,
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] | 0 | 1.212701 | pbe | true | a1564572c1e2c8bd307e722fe73762a8_10_Sr1In2Hg1 |
[
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1,
1,
1
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[
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0.00033841... | 0 | 5.026272 | pbe | true | 7cbeab9bec0e6d0ed1e49fa325b262e1_166_Tl6In3Hg2 |
[
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1
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3.5706114733652... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Ir", "attached"... | [
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[
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0,
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[
0.00165864,
0,
... | -0.000114 | 8.77497 | pbe | true | b3f2c035921fb90602d855ca816f3314_12_Nb4Hg4Ir4 |
[
"Hg",
"Ir",
"Nd"
] | 12 | A6B5C | Hg5IrNd6 | Nd6 Hg5 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
5.24676894,
-0.33999603,
0.86699992
],
[
-0.02091667,
7.07929556,
2.90310241
],
[
1.209301,
0.38263963,
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] | agm006135124 | [
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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": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ir", "attached"... | [
"Ir",
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"Nd",
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"Nd",
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"Hg",
"Hg",
"Hg",
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] | 2023-11-16 06:57:59 | [
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0.5
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[
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[
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[
... | 0.000022 | 10.779803 | pbe | true | ef0db25a0b3e523e65292dbb4c9557c2_71_Nd6Hg5Ir1 |
[
"Hg",
"Ir",
"Ni"
] | 5 | A3BC | HgIrNi3 | Ni3 Hg1 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
4.60551054,
0,
0
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[
0,
4.60551054,
0
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[
0,
0,
4.60551054
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] | agm002552959 | [
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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": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ir", "attached"... | [
"Ni",
"Ni",
"Ni",
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] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
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[
0,
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[
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0,
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] | -17.027488 | [
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[
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[
0,
0,
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[
0,
0,
0
]
] | 2.769294 | 14.342782 | pbe | true | e78cc5277b654ff1a50c3e524e6f847e_221_Ni3Hg1Ir1 |
[
"Hg",
"Ir",
"Pr"
] | 14 | A4B2C | Hg2IrPr4 | Pr8 Hg4 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
6.15481546,
0,
-0.5631206
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[
0,
6.75354037,
0
],
[
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0,
10.36023213
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] | agm003444361 | [
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[
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[
3.7577976... | [{"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": "Ir", "attached"... | [
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"Pr",
"Hg",
"Hg",
"Hg",
"Hg",
"Ir",
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] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.14285714285714285,
0.5714285714285714
] | [
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[
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[
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[
0.00169535,
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[
... | 0.000009 | 13.612535 | pbe | true | 5cebd9bf8d5c26f740ea0aa5598c1c89_11_Pr8Hg4Ir2 |
[
"Hg",
"K",
"Te"
] | 6 | ABC | HgKTe | K2 Hg2 Te2 | 3 | [
1,
1,
1
] | 3 | [
[
7.42561181,
-0.00001485,
-0.00002235
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[
-0.00003938,
5.08082187,
4.09935981
],
[
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6.45930465
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] | agm005663503 | [
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[
1.8563648290263928,
3.56706484113693,
6.24701763702161... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Te", "attached": ... | [
"K",
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"Hg",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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[
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] | -11.884924 | [
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[
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[
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[
0,
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0.00274987
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[
0,
0.00229729,
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]
] | -0 | 1.059635 | pbe | true | 595e1b2ac824d60db6b319c889a28361_63_K2Hg2Te2 |
[
"Hg",
"K",
"Tl"
] | 6 | A4BC | HgKTl4 | K1 Tl4 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
6.58286182,
0,
0
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[
3.29143091,
5.70092557,
0
],
[
3.29143091,
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] | agm003199788 | [
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[
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[
6.582861885828618,
1.9075018351172919,
3.3567594260561227... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "K", "attached":... | [
"Hg",
"K",
"Tl",
"Tl",
"Tl",
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] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.6666666666666666
] | [
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0
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[
0,
5.172512,
0
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[
0,
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] | -10.962273 | [
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[
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[
0,
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0.00054566
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[
0,
0,
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]
] | -0.000002 | 2.596053 | pbe | true | a851ba54b440ba90afa644738bc5fed5_216_K1Tl4Hg1 |
[
"Hg",
"La",
"Na"
] | 16 | A14BC | Hg14LaNa | Na1 La1 Hg14 | 3 | [
1,
1,
1
] | 3 | [
[
6.8663414,
-0.01453506,
0
],
[
0.01465122,
6.86634143,
0
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[
0,
0,
8.90319341
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] | agm005758436 | [
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2.5803447085295197,
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0
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[
6.0135704711216995,
2.5621941323169097,
4.4... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Na", "attached"... | [
"Na",
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"Hg",
"Hg",
"Hg",
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"Hg",
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] | 2023-11-16 06:57:59 | [
0.875,
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[
0.00010685,
6.3159857,
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[
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] | -12.918961 | [
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0,
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[
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[
-0.00115018,
0.00115508,
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[
-0.00115018,
0.0... | 0.000014 | 5.713428 | pbe | true | 215b85837b6fb8f727f04be317c9f74a_123_Na1La1Hg14 |
[
"Hg",
"La",
"Ni"
] | 4 | A2BC | Hg2LaNi | La1 Ni1 Hg2 | 3 | [
1,
1,
1
] | 3 | [
[
5.07917038,
0,
0
],
[
2.53958519,
4.39869058,
0
],
[
2.53958519,
1.46614407,
4.14741687
]
] | agm002169031 | [
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7.618766998133355,
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[
0,
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[
5.07917038,
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2.073708435
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[
2.53958519,
1.4662086625000001,
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached"... | [
"Ni",
"Hg",
"Hg",
"La"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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[
0.01655354,
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],
[
0.0081371,
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]
] | -11.848336 | [
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0
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[
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[
0.00000201,
0.00002458,
0.0005554
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[
-0.00000679,
0.00000866,
0.00000762
]
] | -0.004471 | 3.700336 | pbe | true | 96a95e419053497e42d38e5df1c4f528_225_La1Ni1Hg2 |
[
"Hg",
"La",
"Ni"
] | 12 | A6B5C | Hg5La6Ni | La6 Ni1 Hg5 | 3 | [
1,
1,
1
] | 3 | [
[
5.3607053,
-0.34720205,
0.88539599
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[
-0.02123164,
7.18161669,
2.94508469
],
[
1.25687663,
0.37841588,
9.31637148
]
] | agm006135776 | [
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[
4.46304944108771,
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7.012417318690757
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[
2.197395000042019,
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[
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1.472542345
],
[
4.398955289957981,
4.810538508274407,
8.758714285642467
]... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached"... | [
"Ni",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"La",
"La",
"La",
"La",
"La",
"La"
] | 2023-11-16 06:57:59 | [
0.4166666666666667,
0.5,
0.08333333333333333
] | [
[
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],
[
0.03342406,
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]
] | -42.209077 | [
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[
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[
0.00283808,
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[
-0.00050206,
-0.00... | 0.000004 | 11.372067 | pbe | true | 240953b7943defe85718d0d9066f282a_71_La6Ni1Hg5 |
[
"Hg",
"La",
"Pb"
] | 10 | A2B2C | HgLa2Pb2 | La4 Hg2 Pb4 | 3 | [
1,
1,
1
] | 3 | [
[
4.97720356,
0,
0
],
[
2.48860178,
6.08927516,
-0.59145776
],
[
2.48860178,
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10.33290612
]
] | agm003403677 | [
[
4.977206073487799,
1.3007976691305223,
3.581711154000538
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[
7.46580534,
1.6143324633229579,
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[
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[
2.48860178,
4.337528786677042,
0.2103807362572304
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[
4.97720104651... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pb", "attached"... | [
"La",
"La",
"La",
"La",
"Hg",
"Hg",
"Pb",
"Pb",
"Pb",
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] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
3.9669278,
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0
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[
0,
3.9546182,
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[
0,
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] | -40.64764 | [
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0,
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] | [
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[
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[
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[
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],
[
0,
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[
0,
-0.00121013,
... | -0 | 1.565257 | pbe | true | 1e199f0521d947533d12ecda230b7e34_12_La4Hg2Pb4 |
[
"Hg",
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"Pm"
] | 9 | A6B2C | Hg6LaPm2 | La1 Pm2 Hg6 | 3 | [
1,
1,
1
] | 3 | [
[
3.50506119,
0,
0
],
[
0,
7.59210546,
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],
[
0,
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]
] | agm005625996 | [
[
0,
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[
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4.38331068663467
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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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1
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[
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1
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... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Na", "attached"... | [
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... | -0 | 6.113256 | pbe | true | d728aecfe4ae84fc88417aed16ab7849_123_Na1Li3Hg12 |
[
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1,
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1
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[
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1,
1
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[
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1
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0
] | [
[
0,
0,
-0.00143353
],
[
0,
0,
0.00311395
],
[
0,
0,
-0.00276371
],
[
0,
0,
0.00108329
]
] | -0.000001 | 1.891617 | pbe | true | 55229a0da50a5eb3b7cf7fa56314e4f3_35_Li1Hg1Te2 |
[
"Hg",
"Li",
"Tl"
] | 10 | A5B4C | Hg5LiTl4 | Li1 Tl4 Hg5 | 3 | [
1,
1,
1
] | 3 | [
[
3.70241174,
-0.00000307,
-1e-8
],
[
-0.00000307,
3.70241174,
0.0000019
],
[
0.00000195,
0.00000885,
19.6364463
]
] | agm006119131 | [
[
0,
0,
0
],
[
3.511242345e-7,
0.0000015935638334999998,
3.5358113719937725
],
[
7.66251408e-7,
0.000003477602544,
7.716130577175071
],
[
3.702409853748592,
3.702414042397456,
11.920317612824928
],
[
3.7024102688757656,
3.7024159264361667,
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Li", "attached"... | [
"Li",
"Tl",
"Tl",
"Tl",
"Tl",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.5,
0.1,
0.4
] | [
[
5.769029,
-0.00000956,
5.7e-7
],
[
-0.00000956,
5.769029,
0.00000561
],
[
5.7e-7,
0.00000561,
5.882414
]
] | -13.617191 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
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[
0,
0,
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],
[
0,
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[
0,
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[
0,
0,
0.00106586
],
[
0,
0,
0.00284959
],
[
0,
0,
0
],
[
0,
0,
-0.00284... | 0 | 4.169253 | pbe | true | f441d077f9f554566ee322b9605165a6_123_Li1Tl4Hg5 |
[
"Hg",
"Li",
"Tm"
] | 8 | A5B2C | Hg5LiTm2 | Li1 Tm2 Hg5 | 3 | [
1,
1,
1
] | 3 | [
[
5.01585676,
0,
0
],
[
0,
5.01585676,
0
],
[
-2.50792838,
-2.50792838,
7.34514577
]
] | agm003479810 | [
[
0,
0,
0
],
[
2.50792838,
2.50792838,
3.542998049888922
],
[
2.7040669484557613e-17,
2.7040669484557613e-17,
3.8021477201110776
],
[
2.50792838,
2.50792838,
0
],
[
2.50793088792838,
-0.000002507928379778538,
5.5604077074167755
],
[
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Tm", "attached"... | [
"Li",
"Tm",
"Tm",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.625,
0.125,
0.25
] | [
[
4.5849776,
0,
0
],
[
0,
4.5849776,
0
],
[
0,
0,
4.6488156
]
] | -14.894792 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0.00182016
],
[
0,
0,
-0.00182016
],
[
0,
0,
0
],
[
0,
0,
0.00490585
],
[
0,
0,
0.00490585
],
[
0,
0,
-0.00490585
],
[
0,
0,
-0.00490585
]
] | -0 | 3.890493 | pbe | true | 6e8ae8a73ef927d702e3bb41b22e9528_139_Li1Tm2Hg5 |
[
"Hg",
"Lu",
"Sb"
] | 4 | A2BC | Hg2LuSb | Lu1 Hg2 Sb1 | 3 | [
1,
1,
1
] | 3 | [
[
5.08057826,
0,
0
],
[
0,
4.3981592,
0
],
[
0,
0,
4.3981592
]
] | agm001249032 | [
[
2.54028913,
2.1990796,
2.1990796
],
[
2.54028913,
0,
0
],
[
0,
0,
2.1990796
],
[
0,
2.1990796,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Lu", "attached"... | [
"Sb",
"Lu",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
2.66606,
0,
0
],
[
0,
3.005832,
0
],
[
0,
0,
3.005832
]
] | -10.753306 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000004 | 0.736195 | pbe | true | c2d618cac61493d4dbc7274d53f4c0f0_123_Lu1Hg2Sb1 |
[
"Hg",
"Lu",
"Tl"
] | 4 | A2BC | HgLuTl2 | Lu1 Tl2 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
5.31589245,
0,
0
],
[
2.65794623,
4.60369791,
0
],
[
2.65794623,
1.53456597,
4.34040801
]
] | agm001112376 | [
[
2.6579462275,
1.53456597,
1.0851020025
],
[
7.9738386825,
4.60369791,
3.2553060074999998
],
[
5.315892455,
3.06913194,
2.170204005
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Lu", "attached"... | [
"Tl",
"Tl",
"Lu",
"Hg"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
3.7471554,
0,
0
],
[
0,
3.7471554,
0
],
[
0,
0,
3.7471554
]
] | -9.650464 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000004 | 3.290021 | pbe | true | e05cc0be71f8c6ea01620c70ef39ec72_225_Lu1Tl2Hg1 |
[
"Hg",
"Mg",
"Sc"
] | 8 | A3B3C2 | Hg3Mg3Sc2 | Mg3 Sc2 Hg3 | 3 | [
1,
1,
1
] | 3 | [
[
4.71376196,
-9.9e-7,
1.4205908
],
[
2.14281822,
4.19855765,
1.4205908
],
[
-0.01016347,
-0.00622333,
8.56454586
]
] | agm005574976 | [
[
1.685851354442813,
1.0323138568876549,
2.9368840536460143
],
[
5.147794237174444,
3.1521992104783205,
8.511228651170919
],
[
4.276677341777218,
2.6187795972984804,
2.8709189367276076
],
[
0.030509688966905996,
0.0186824594348112,
8.429602639882413
],
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sc", "attached"... | [
"Mg",
"Mg",
"Mg",
"Sc",
"Sc",
"Hg",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.375,
0.375,
0.25
] | [
[
4.08114,
0.01161461,
-0.0629436
],
[
0.01161461,
4.0692854,
-0.03854278
],
[
-0.0629436,
-0.03854278,
4.2710247
]
] | -20.95411 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00345996,
0.00211867,
-0.01148074
],
[
0.00038729,
0.00023715,
-0.0012851
],
[
-0.00566831,
-0.00347093,
0.01880841
],
[
0.0005257,
0.0003219,
-0.00174435
],
[
0.00040918,
0.00025056,
-0.00135772
],
[
0.00038425,
0.00023529,... | 0.000001 | 3.098513 | pbe | true | b38e8c2ab0962725857c89c45db34b18_160_Mg3Sc2Hg3 |
[
"Hg",
"Mg",
"Se"
] | 4 | A2BC | HgMgSe2 | Mg1 Hg1 Se2 | 3 | [
1,
1,
1
] | 3 | [
[
3.12549726,
0.0123716,
0
],
[
-0.53224121,
3.07987102,
0
],
[
0,
0,
10.44434539
]
] | agm003861272 | [
[
1.296628025,
1.54612131,
2.6110863475
],
[
1.296628025,
1.54612131,
7.8332590425
],
[
0,
0,
9.682058261773255
],
[
0,
0,
5.9844598232267465
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Mg", "attached"... | [
"Hg",
"Mg",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.0855691,
0.22770604,
0
],
[
0.22770604,
2.1661282,
0
],
[
0,
0,
1.9166847
]
] | -10.070703 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00267307
],
[
0,
0,
0.00267307
]
] | -0 | 1.611469 | pbe | true | 5d7c033dd5b9060e2d4a15452d219c2a_65_Mg1Hg1Se2 |
[
"Hg",
"Mg",
"Ta"
] | 4 | A2BC | Hg2MgTa | Mg1 Ta1 Hg2 | 3 | [
1,
1,
1
] | 3 | [
[
5.618004,
0.01797063,
2e-8
],
[
2.5865608,
4.98718308,
2e-8
],
[
-4.10228424,
-2.50257798,
2.91043977
]
] | agm003864610 | [
[
0,
0,
0
],
[
1.2932794799999998,
2.4935909775000002,
1.455219905
],
[
4.1022824,
2.502576855,
2e-8
],
[
2.8090010800000003,
0.008984752500000193,
1.455219905
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Mg", "attached"... | [
"Hg",
"Hg",
"Mg",
"Ta"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
4.9543576,
-0.23608328,
-0.00000336
],
[
-0.23608328,
5.1973295,
-0.00000205
],
[
-0.00000336,
-0.00000205,
5.341338
]
] | -12.317988 | [
0.013,
0.009,
0.004,
0.164
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.300906 | 4.974899 | pbe | true | 531418b076d674088def3dbc746edc16_119_Mg1Ta1Hg2 |
[
"Hg",
"Mg",
"Zn"
] | 9 | A6B2C | Hg2Mg6Zn | Mg6 Zn1 Hg2 | 3 | [
1,
1,
1
] | 3 | [
[
3.6017476,
0,
0
],
[
0,
7.83326901,
0
],
[
0,
-3.9166345,
6.78326994
]
] | agm003490247 | [
[
1.8008738,
0.906155384053644,
6.78326994
],
[
1.8008738,
1.5053014085536491,
2.6069965673710556
],
[
1.8008738,
-2.4113330952896246,
4.176273372628945
],
[
0,
-1.854774121083596,
6.78326994
],
[
0,
2.8857069433708653,
4.997843356278919
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Zn", "attached"... | [
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Zn",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.2222222222222222,
0.6666666666666666,
0.1111111111111111
] | [
[
-3.4932604,
0,
0
],
[
0,
1.6838857,
0
],
[
0,
0,
1.6779063
]
] | -12.848191 | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.0152745,
0
],
[
0,
-0.00759813,
-0.01312778
],
[
0,
-0.00759813,
0.01312778
],
[
0,
0.04096528,
0
],
[
0,
-0.02047382,
-0.03548248
],
[
0,
-0.02047382,
0.03548248
],
[
0,
-0.00014817,
0
],
[
0,... | -0 | 5.257649 | pbe | true | 411acc45cdcaab0cb46a1d0b9599890c_189_Mg6Zn1Hg2 |
[
"Hg",
"Mn",
"Re"
] | 6 | A4BC | HgMnRe4 | Mn1 Re4 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.69924218,
3.69924218
],
[
3.69924218,
0,
3.69924218
],
[
3.69924218,
3.69924218,
0
]
] | agm005443199 | [
[
0,
0,
0
],
[
2.772838741317292,
4.625645618682708,
4.625645618682708
],
[
4.625645618682708,
4.625645618682708,
2.772838741317292
],
[
4.625645618682708,
2.772838741317292,
4.625645618682708
],
[
2.772838741317292,
2.772838741317292,
2.77... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Re", "attached"... | [
"Mn",
"Re",
"Re",
"Re",
"Re",
"Hg"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.6666666666666666
] | [
[
8.79507,
0,
0
],
[
0,
8.79507,
0
],
[
0,
0,
8.79507
]
] | -55.31752 | [
3.547,
-0.064,
-0.064,
-0.064,
-0.064,
-0.002
] | [
[
0,
0,
0
],
[
0.00144493,
-0.00144493,
-0.00144493
],
[
-0.00144493,
-0.00144493,
0.00144493
],
[
-0.00144493,
0.00144493,
-0.00144493
],
[
0.00144493,
0.00144493,
0.00144493
],
[
0,
0,
0
]
] | 3.353558 | 4.955214 | pbe | true | 5a0e96398679a3bb48ff55d91b7ddab0_216_Mn1Re4Hg1 |
[
"Hg",
"Mn",
"Te"
] | 5 | A3BC | HgMnTe3 | Mn1 Hg1 Te3 | 3 | [
1,
1,
1
] | 3 | [
[
6.9808138,
0.07306373,
0
],
[
0.62211717,
4.30022394,
0
],
[
0,
0,
18.4503484
]
] | agm2000078936 | [
[
4.50347361417597,
4.211391029495816,
8.949683191872367
],
[
7.1655867029539975,
2.1502201369674974,
9.858736654630953
],
[
1.9947272834414438,
4.259103128180739,
8.512310487414492
],
[
5.880758858417736,
4.2662008009892105,
11.127744421947076
],
[
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Te", "attached"... | [
"Mn",
"Hg",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
0.41724035,
-0.00207853,
0.00213839
],
[
-0.0020785,
0.4333068,
-0.00985228
],
[
0.00213839,
-0.00985223,
-0.11174836
]
] | -18.440017 | [
3.368,
-0.005,
-0.138,
-0.138,
-0.166
] | [
[
0.00408475,
0.0003943,
-0.00648899
],
[
-0.00108159,
0.00188103,
0.00374086
],
[
0.00082332,
-0.00143011,
0.0037337
],
[
0.0001443,
-0.00147084,
-0.00071519
],
[
-0.00397078,
0.00062562,
-0.00027037
]
] | 2.98217 | 2.476309 | pbe | true | 4bdbe372fd5350c2485bdd1811dcb844_1_Mn1Hg1Te3 |
[
"Hg",
"Mo",
"Pt"
] | 4 | A2BC | Hg2MoPt | Hg2 Mo1 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
5.01354277,
-0.04152702,
2e-8
],
[
1.33054789,
4.83394021,
2e-8
],
[
-3.17204308,
-2.3962049,
3.05510739
]
] | agm004251914 | [
[
0,
0,
0
],
[
3.17204533,
2.3962065949999998,
2e-8
],
[
0.6652750699999999,
2.4169709525,
1.527553715
],
[
2.5067725100000002,
-0.020762662499999918,
1.527553715
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Pt", "attached"... | [
"Hg",
"Hg",
"Mo",
"Pt"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
6.756252,
0.33402058,
0.00000467
],
[
0.33402058,
6.5664062,
0.00000353
],
[
0.00000467,
0.00000353,
6.3140984
]
] | -15.542918 | [
0.012,
0.012,
2.044,
0.154
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.416269 | 2.975736 | pbe | true | 56888a3652a4dc4cfd5421d6c2ba0412_139_Hg2Mo1Pt1 |
[
"Hg",
"Mo",
"S"
] | 8 | A2BC | HgMo2S | Hg2 Mo4 S2 | 3 | [
1,
1,
1
] | 3 | [
[
4.23371593,
0,
0
],
[
0,
4.23371593,
0
],
[
2.11685796,
2.11685796,
8.74242748
]
] | agm002883998 | [
[
2.116857965,
2.116857965,
0
],
[
2.1168579625,
4.2337159275000005,
4.37121374
],
[
2.7927563596774974,
1.05842898125,
2.18560687
],
[
1.4409595678225027,
3.17528694625,
2.18560687
],
[
3.1752869437499998,
3.5578175303225024,
6.55682061
... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Hg", "attached": ... | [
"S",
"S",
"Mo",
"Mo",
"Mo",
"Mo",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
4.0254993,
0,
0
],
[
0,
4.0254993,
0
],
[
0,
0,
2.1582372
]
] | -46.721557 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
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[
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0,
0
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[
0.00264652,
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[
0,
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0
],
[
0,
-0.00264652,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 9.858139 | pbe | true | 44919c0a76a322d16d294442d76bb179_122_Hg2Mo4S2 |
[
"Hg",
"Mo",
"Sb"
] | 4 | A2BC | Hg2MoSb | Hg2 Sb1 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
3.00087709,
0,
0
],
[
0,
5.05267337,
0
],
[
0,
0,
5.64978694
]
] | agm003946498 | [
[
0,
0,
0.0481013255433802
],
[
0,
0,
2.77679214445662
],
[
1.500438545,
2.526336685,
1.412446735
],
[
1.500438545,
2.526336685,
4.237340205000001
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Sb", "attached"... | [
"Hg",
"Hg",
"Mo",
"Sb"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
4.736665,
0,
0
],
[
0,
4.494861,
0
],
[
0,
0,
4.8123007
]
] | -12.927005 | [
0.004,
0.004,
0.226,
-0.006
] | [
[
0,
0,
0.0028903
],
[
0,
0,
-0.0028903
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.258775 | 2.978492 | pbe | true | 811fbe7541a6a6ccfb9f7397c48af71c_47_Hg2Sb1Mo1 |
[
"Hg",
"Mo",
"Sc"
] | 3 | ABC | HgMoSc | Sc1 Hg1 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
4.637426,
0,
0
],
[
2.318713,
4.01612872,
0
],
[
2.318713,
1.33870957,
3.78644247
]
] | agm004224316 | [
[
4.637426,
2.677419145,
1.893221235
],
[
2.318713,
1.3387095725,
0.9466106175
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Sc", "attached"... | [
"Hg",
"Mo",
"Sc"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
4.843031,
0,
0
],
[
0,
4.843031,
0
],
[
0,
0,
4.843031
]
] | -15.150593 | [
0.019,
2.088,
0.429
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.908994 | 1.537809 | pbe | true | 35773bb4558b5e608d63505dcd4ce4d0_216_Sc1Hg1Mo1 |
[
"Hg",
"Mo",
"Zn"
] | 5 | A2B2C | HgMo2Zn2 | Zn2 Hg1 Mo2 | 3 | [
1,
1,
1
] | 3 | [
[
-1.81414852,
1.81414852,
6.9383245
],
[
1.81414852,
-1.81414852,
6.9383245
],
[
1.81414852,
1.81414852,
-6.9383245
]
] | agm005417374 | [
[
8.132009941851947e-17,
-8.132009941851947e-17,
8.2842165235153
],
[
4.001903265682927e-17,
-4.001903265682927e-17,
5.5924324764847
],
[
0,
0,
0
],
[
1.81414852,
0,
3.46916225
],
[
-1.1102230246251565e-16,
1.8141485200000003,
3.46916225
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Zn", "attached"... | [
"Zn",
"Zn",
"Hg",
"Mo",
"Mo"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
4.833176,
0,
0
],
[
0,
4.833176,
0
],
[
0,
0,
4.3042793
]
] | -21.915279 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
-0.0045025
],
[
0,
0,
0.0045025
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000043 | 3.644866 | pbe | true | f51a6575189cf3517da2a9b77a3616c7_139_Zn2Hg1Mo2 |
[
"Hg",
"N",
"Zr"
] | 10 | A3BC | HgNZr3 | Zr6 Hg2 N2 | 3 | [
1,
1,
1
] | 3 | [
[
6.21993609,
0.00148685,
0.00189784
],
[
3.35649936,
9.6139978,
-0.00550402
],
[
0.85215325,
0.25729488,
3.13184039
]
] | agm003109810 | [
[
1.2976263406477324,
1.3625032744634713,
2.7662402037337284
],
[
2.745577654905795,
3.935150600970873,
2.16524624465113
],
[
3.500017565477546,
6.150325048556451,
0.08504399185346219
],
[
8.822840820556893,
8.900246067142318,
1.7965061560002826
],
[
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "N", "attached":... | [
"Hg",
"Hg",
"Zr",
"Zr",
"Zr",
"Zr",
"Zr",
"Zr",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
0.4282651,
-0.47674936,
-0.27708605
],
[
-0.47674942,
0.5575413,
-0.15459332
],
[
-0.27708623,
-0.15459365,
-1.1405178
]
] | -76.023097 | [
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-0.002,
-0.002,
-0.002,
-0.001,
-0.001,
-0.002,
-0.005,
0,
0
] | [
[
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0.00609967
],
[
0.007378,
0.00078567,
-0.00708222
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[
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0.00418321
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[
0.00321438,
0.00166072,
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[
0.00780498,
0.00120486,
-0.00192754
],
[
-0.00783868,
0.015494... | -0.027726 | 6.869524 | pbe | true | 10fcf8d85930a8da6c128c1d01384d25_8_Zr6Hg2N2 |
[
"Hg",
"Na",
"Nb"
] | 5 | A3BC | HgNa3Nb | Na3 Nb1 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
5.57589737,
0,
0
],
[
0,
5.57589737,
0
],
[
0,
0,
5.57589737
]
] | agm002548380 | [
[
0,
2.787948685,
0
],
[
0,
0,
2.787948685
],
[
2.787948685,
0,
0
],
[
2.787948685,
2.787948685,
2.787948685
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Na", "attached"... | [
"Na",
"Na",
"Na",
"Nb",
"Hg"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
1.676947,
0,
0
],
[
0,
1.676947,
0
],
[
0,
0,
1.676947
]
] | -9.494727 | [
-0.004,
0.009,
-0.013,
3.035,
-0.009
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.374555 | 3.817179 | pbe | true | 01230f0bd9b09c6b09b8cfca659e2658_221_Na3Nb1Hg1 |
[
"Hg",
"Na",
"Pb"
] | 11 | A5B4C2 | Hg2Na4Pb5 | Na4 Hg2 Pb5 | 3 | [
1,
1,
1
] | 3 | [
[
3.40411292,
0,
0
],
[
0,
8.48826476,
0.03327276
],
[
0,
-0.77758279,
10.86667883
]
] | agm003367837 | [
[
1.70205646,
5.758312605692899,
6.109565297651648
],
[
1.70205646,
0.7339635555725638,
9.63529069082199
],
[
1.70205646,
1.9523693643071005,
4.790386292348352
],
[
1.70205646,
6.976718414427437,
1.2646608991780106
],
[
0,
0.06029771667005579,
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Na", "attached"... | [
"Na",
"Na",
"Na",
"Na",
"Hg",
"Hg",
"Pb",
"Pb",
"Pb",
"Pb",
"Pb"
] | 2023-11-16 06:57:59 | [
0.18181818181818182,
0.36363636363636365,
0.45454545454545453
] | [
[
4.936646,
0,
0
],
[
0,
4.7996855,
-0.02907221
],
[
0,
-0.02907229,
4.8830786
]
] | -25.860715 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.00015514,
-0.00467606
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[
0,
-0.00491322,
-0.00189682
],
[
0,
-0.00015514,
0.00467606
],
[
0,
0.00491322,
0.00189682
],
[
0,
-0.00487821,
0.00442257
],
[
0,
0.00487821,
-0.00442257
],
[
0,
0.00344793,
... | -0.000003 | 5.68368 | pbe | true | 1da6f2f62570aa4d91b70b1ece2618b1_10_Na4Hg2Pb5 |
[
"Hg",
"Na",
"Rb"
] | 9 | A4B3C2 | Hg2Na4Rb3 | Rb3 Na4 Hg2 | 3 | [
1,
1,
1
] | 3 | [
[
5.05767165,
0,
0
],
[
-2.52883583,
8.46140994,
-0.03512964
],
[
0,
-3.95355198,
9.68038259
]
] | agm003332929 | [
[
-3.739796918429572e-9,
3.914238933699353,
5.88582296587287
],
[
0,
0,
0
],
[
2.5288358237397968,
0.5936190263006471,
3.7594299841271304
],
[
2.528835848496866,
3.0287819360275257,
-0.005417700316137099
],
[
-0.0000025301038729601764,
-0.65921... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Rb", "attached"... | [
"Rb",
"Rb",
"Rb",
"Na",
"Na",
"Na",
"Na",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.2222222222222222,
0.4444444444444444,
0.3333333333333333
] | [
[
1.1052647,
0,
0
],
[
0,
1.1583525,
-0.01169577
],
[
0,
-0.0116958,
1.1180385
]
] | -9.752993 | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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0.00028572
],
[
0,
0,
0
],
[
0,
0.00270186,
-0.00028572
],
[
0,
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0.00582832
],
[
0,
0.00063297,
0.00123208
],
[
0,
-0.00063297,
-0.00123208
],
[
0,
0.00203929,
-0.00582832
],
... | 0 | 4.423745 | pbe | true | f9d6bd0c6df494dba3f60aafd472f31e_12_Rb3Na4Hg2 |
[
"Hg",
"Na",
"Sc"
] | 6 | A3B2C | Hg3Na2Sc | Na2 Sc1 Hg3 | 3 | [
1,
1,
1
] | 3 | [
[
3.52509865,
0,
0
],
[
0,
3.52509865,
0
],
[
0,
0,
11.6867632
]
] | agm005786723 | [
[
1.762549325,
1.762549325,
9.584118630168767
],
[
1.762549325,
1.762549325,
2.102644569831232
],
[
1.762549325,
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5.8433816
],
[
0,
0,
0
],
[
0,
0,
7.566980380157967
],
[
0,
0,
4.119782819842032
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Sc", "attached"... | [
"Na",
"Na",
"Sc",
"Hg",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.5,
0.3333333333333333,
0.16666666666666666
] | [
[
4.54649,
0,
0
],
[
0,
4.54649,
0
],
[
0,
0,
4.552932
]
] | -11.483959 | [
0,
0,
0.206,
0,
0.018,
0.018
] | [
[
0,
0,
0.00075397
],
[
0,
0,
-0.00075397
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00019391
],
[
0,
0,
0.00019391
]
] | 0.378921 | 3.070662 | pbe | true | 22e4be5dca72039c5c2ff0bd5a79a0bc_123_Na2Sc1Hg3 |
[
"Hg",
"Na",
"Tl"
] | 22 | A5B4C2 | Hg4Na5Tl2 | Na10 Tl4 Hg8 | 3 | [
1,
1,
1
] | 3 | [
[
3.53332868,
0,
2e-8
],
[
0,
8.40332851,
-5e-8
],
[
9.4e-7,
-0.00000115,
20.13278184
]
] | agm005654910 | [
[
0,
4.201664255,
-2.5e-8
],
[
4.7e-7,
-5.75e-7,
10.06639092
],
[
3.5333288526030535,
2.572127721889504,
3.696786842007676
],
[
7.673969461999999e-7,
5.831199638110496,
16.435994967992322
],
[
2.9739694620000003e-7,
6.773791824216125,
6.369... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Na", "attached"... | [
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
"Tl",
"Tl",
"Tl",
"Tl",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.36363636363636365,
0.45454545454545453,
0.18181818181818182
] | [
[
5.897403,
0,
5e-8
],
[
0,
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-0.00... | -0.000004 | 12.337964 | pbe | true | 9427a64053ea3d8fa9dbf2b7cd56441e_55_Na10Tl4Hg8 |
[
"Hg",
"Nb",
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] | 5 | A3BC | HgNb3Se | Nb3 Hg1 Se1 | 3 | [
1,
1,
1
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[
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0,
0
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[
0,
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] | 0.000001 | 7.926376 | pbe | true | 2b1d18b6308a4cd5f994970e25e14e8c_221_Nb3Hg1Se1 |
[
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1,
1,
1
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[
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[
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[
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] | agm003736134 | [
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[
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0.00014... | -0.000101 | 16.301767 | pbe | true | c323f14331f94c68d14717e7dc1f84ff_14_Nd8Ni2Hg2 |
[
"Hg",
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"O"
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1,
1,
1
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0
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[
0,
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[
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[
1.9040416... | [{"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": "Nd", "attached": ... | [
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[
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... | 2.060215 | 9.597753 | pbe | true | e715b66ea8281f980f76d9d86389a6d2_63_Nd2Hg2O6 |
[
"Hg",
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] | 20 | A6B3C | Hg3Nd6Ru | Nd12 Hg6 Ru2 | 3 | [
1,
1,
1
] | 3 | [
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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": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ru", "attached"... | [
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[
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-0.00005064,... | 0.00018 | 21.021778 | pbe | true | 3314451f081fc9ef8e7e8d5c623d06d9_167_Nd12Hg6Ru2 |
[
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1,
1,
1
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[
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0,
0
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[
-2.45398753,
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0
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[
0,
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] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ni", "attached": ... | [
"K",
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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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] | 4.831701 | 1.754651 | pbe | true | d1679b016ddf9d415b8b6e885af83cf9_156_K1Mn1Ni1 |
[
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] | 9 | A6B2C | HgNd6Tb2 | Tb2 Nd6 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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[
0,
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[
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1.92796... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Nd", "attached"... | [
"Tb",
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] | 2023-11-16 06:57:59 | [
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[
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[
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-0.0... | -0.000012 | 11.616361 | pbe | true | 1ad3533e58f6c40c99857d25181e7170_189_Tb2Nd6Hg1 |
[
"Hg",
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1,
1,
1
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[
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0
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[
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[
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] | agm003334498 | [
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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": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Y", "attached":... | [
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[
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-0.00055... | -0.000455 | 17.00585 | pbe | true | 556049bb35f5a8bf7d5d8b25d1e5fcd7_64_Nd4Y6Hg8 |
[
"Hg",
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"Re"
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1,
1,
1
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[
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0,
0
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[
0,
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[
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ni", "attached"... | [
"Hg",
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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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] | -15.697865 | [
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[
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[
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] | 0.100165 | 4.052242 | pbe | true | 909778c9b81d9b8b6fd9e5d950ccc207_123_Re1Ni1Hg2 |
[
"Hg",
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] | 4 | A2BC | HgNpTm2 | Tm2 Np1 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
3.38591402,
0,
0
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[
0,
3.38591402,
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[
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] | agm001160990 | [
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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": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Np", "attached"... | [
"Np",
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] | 2023-11-16 06:57:59 | [
0.25,
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[
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[
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] | -22.019817 | [
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[
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[
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[
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0,
0
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] | 4.37381 | 9.720073 | pbe | true | 43b53010c2b0277d7e9bfe6865ba5ab8_123_Tm2Np1Hg1 |
[
"Hg",
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1,
1,
1
] | 3 | [
[
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[
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[
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] | agm005671965 | [
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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": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Np", "attached": ... | [
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] | 2023-11-16 06:57:59 | [
0.2631578947368421,
0.10526315789473684,
0.631578947368421
] | [
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[
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[
... | 0 | -0.642582 | pbe | true | 3075f8cc2a213598f58abe72b017ef7c_2_Np2Hg5O12 |
[
"Hg",
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] | 13 | A9B3C | HgO9Pu3 | Pu3 Hg1 O9 | 3 | [
1,
1,
1
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[
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[
0,
6.92412863,
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[
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] | agm006023654 | [
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[
... | [{"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": "Pu", "attached": ... | [
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] | 2023-11-16 06:57:59 | [
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[
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] | -117.091783 | [
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[
0,... | 6.097982 | 9.688737 | pbe | true | d4e2a0a3fefad60da67b2dacd53ea15f_191_Pu3Hg1O9 |
[
"Hg",
"O",
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] | 4 | A2BC | HgOS2 | Hg1 S2 O1 | 3 | [
1,
1,
1
] | 3 | [
[
1.98434797,
0,
7.98559341
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[
-0.99217399,
1.71849575,
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[
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] | agm002774959 | [
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[
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Hg", "attached": nu... | [
"S",
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] | 2023-11-16 06:57:59 | [
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[
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] | -11.879548 | [
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[
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[
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[
0,
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0
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] | 0 | 1.960174 | pbe | true | b57c14439c680c1a774a9195917eb8e2_166_Hg1S2O1 |
[
"Hg",
"Os",
"Pb"
] | 5 | A3BC | HgOsPb3 | Hg1 Os1 Pb3 | 3 | [
1,
1,
1
] | 3 | [
[
5.3195442,
0,
0
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[
0,
5.3195442,
0
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[
0,
0,
5.3195442
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] | agm002565959 | [
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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": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Os", "attached"... | [
"Pb",
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] | 2023-11-16 06:57:59 | [
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[
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[
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] | -20.482657 | [
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[
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[
0,
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[
0,
0,
0
]
] | 0 | 4.120823 | pbe | true | 1b6cec751415e1ab1dce26078fd21737_221_Hg1Os1Pb3 |
[
"Hg",
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"Sn"
] | 10 | A2B2C | HgOs2Sn2 | Sn4 Hg2 Os4 | 3 | [
1,
1,
1
] | 3 | [
[
7.68033982,
0,
0
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[
0,
7.68033982,
0
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[
0,
0,
3.19665646
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] | agm003020276 | [
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[
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0
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Os", "attached"... | [
"Os",
"Os",
"Os",
"Os",
"Hg",
"Hg",
"Sn",
"Sn",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.2,
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0.4
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[
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[
0,
8.933358,
0
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[
0,
0,
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] | -57.584332 | [
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0.001,
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[
0,
0,
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[
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0
],
[
-0.00365466... | 0 | 5.196442 | pbe | true | cd441e39810afb5bfde5708d65ef4b52_127_Sn4Hg2Os4 |
[
"Hg",
"Os",
"Tm"
] | 18 | A6B2C | HgOs2Tm6 | Tm12 Hg2 Os4 | 3 | [
1,
1,
1
] | 3 | [
[
7.80863511,
-0.146843,
-3.01020311
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[
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[
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]
] | agm005807888 | [
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[
2.4189375652888154,
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[
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4.88413947333031,
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[... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Tm", "attached"... | [
"Tm",
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"Tm",
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"Tm",
"Tm",
"Tm",
"Hg",
"Hg",
"Os",
"Os",
"Os",
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] | 2023-11-16 06:57:59 | [
0.1111111111111111,
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[
0.05310193,
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] | -105.139863 | [
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[
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[
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[
-0.00718376,
0.002203... | -0.000086 | 17.869583 | pbe | true | 2a0a4ec52a8b729116361d62b83d4b31_71_Tm12Hg2Os4 |
[
"Hg",
"P",
"Zn"
] | 4 | A2BC | HgPZn2 | Zn2 Hg1 P1 | 3 | [
1,
1,
1
] | 3 | [
[
5.22379974,
0,
0
],
[
0,
4.25485145,
0.54946022
],
[
0,
1.31810557,
4.08194262
]
] | agm004163195 | [
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[
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[
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0.6713912570125744,
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "P", "attached":... | [
"Zn",
"Zn",
"Hg",
"P"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
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[
3.2288318,
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0
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[
0,
3.5275643,
0.06005479
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[
0,
0.06005471,
3.4561012
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] | -7.653672 | [
0,
0,
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0
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[
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[
0,
-0.00065663,
0.00131215
],
[
0,
0.00410665,
0.00183857
]
] | 0 | 1.421852 | pbe | true | fc40d2082fa6dfc891cd2f7a00c48587_38_Zn2Hg1P1 |
[
"Hg",
"P",
"Zr"
] | 4 | A2BC | HgPZr2 | Zr2 Hg1 P1 | 3 | [
1,
1,
1
] | 3 | [
[
-2.02239376,
2.02239376,
4.87705751
],
[
2.02239376,
-2.02239376,
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[
2.02239376,
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] | agm004342612 | [
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[
0,
0,
4.87705751
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[
0,
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "P", "attached":... | [
"Zr",
"Zr",
"Hg",
"P"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
3.5167942,
0,
0
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[
0,
3.5167942,
0
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[
0,
0,
3.565557
]
] | -24.066745 | [
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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
]
] | 0.000003 | 2.757466 | pbe | true | 820264dd3ebdc232b3f99d324f243de6_119_Zr2Hg1P1 |
[
"Hg",
"Pa",
"Sb"
] | 4 | A2BC | HgPa2Sb | Pa2 Hg1 Sb1 | 3 | [
1,
1,
1
] | 3 | [
[
4.39361303,
0,
0
],
[
2.19680651,
3.8049805,
0
],
[
2.19680651,
1.26832683,
6.94022584
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] | agm001966403 | [
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[
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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": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Sb", "attached"... | [
"Sb",
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"Pa",
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] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.299124,
0,
0
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[
0,
2.299124,
0
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[
0,
0,
2.2354002
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] | -23.125561 | [
0,
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] | [
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[
0,
0,
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[
0,
0,
0.00077878
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[
0,
0,
0
]
] | 0.000474 | 7.904762 | pbe | true | 011ec2b787c7b5191bc994f1fd1ca81c_166_Pa2Hg1Sb1 |
[
"Hg",
"Pa",
"Sb"
] | 4 | A2BC | HgPaSb2 | Pa1 Hg1 Sb2 | 3 | [
1,
1,
1
] | 3 | [
[
4.03881527,
0,
0
],
[
0,
4.03881527,
0
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[
0,
0,
6.61812039
]
] | agm001150538 | [
[
0,
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[
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[
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2.019407635,
0
],
[
2.019407635,
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3.309060195
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Sb", "attached"... | [
"Sb",
"Sb",
"Pa",
"Hg"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.4635632,
0,
0
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[
0,
2.4635632,
0
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[
0,
0,
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] | -19.146368 | [
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0.002,
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0,
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[
0,
0,
0.00400243
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.002837 | 4.007756 | pbe | true | 02d1552828052b2c74ac4ca393c19ca5_123_Pa1Hg1Sb2 |
[
"Hg",
"Pd",
"Tb"
] | 7 | A3B2C2 | Hg2Pd2Tb3 | Tb3 Hg2 Pd2 | 3 | [
1,
1,
1
] | 3 | [
[
3.94619901,
0,
0.52370352
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[
0,
3.69926447,
0
],
[
0.48982501,
0,
11.43857931
]
] | agm005559044 | [
[
3.448981078472532,
0,
4.270326007477613
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0,
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[
0.987042941527468,
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7.691956822522386
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[
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[
1.7375222456915038,
1.849632235,
2.036981915838348
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[
3.0849391004979... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Pd", "attached"... | [
"Tb",
"Tb",
"Tb",
"Hg",
"Hg",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.2857142857142857,
0.42857142857142855
] | [
[
3.8238492,
0,
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[
0,
3.781544,
0
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[
0.05233897,
0,
3.4364088
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] | -29.679453 | [
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0,
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0,
0,
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0
] | [
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0,
0.00092594
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[
0,
0,
0
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[
0.00012288,
0,
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[
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[
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[
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[
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-0.00392415
]
] | 0.000063 | 3.990763 | pbe | true | eac497d6f181f9ebdf46cf16bea704d1_65_Tb3Hg2Pd2 |