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{
"id": "jvasp-16420",
"created_at": "2022-09-04T14:38:29.761398Z",
"updated_at": "2022-09-04T14:38:29.761423Z",
"structure_string": "Tm6 Fe1 Sb2\n1.0\n4.022964 -6.967977 -0.000000\n4.022964 6.967977 -0.000000\n-0.000000 0.000000 4.057527\nTm Fe Sb\n6 1 2\ndirect\n0.999999 0.767089 0.000000 Tm\n0.232910 0.232910 0.000000 Tm\n0.767089 0.999999 0.000000 Tm\n0.392759 -0.000000 0.500000 Tm\n0.607240 0.607240 0.500000 Tm\n-0.000000 0.392759 0.500000 Tm\n0.000000 0.000000 0.500000 Fe\n0.333332 0.666667 0.000000 Sb\n0.666667 0.333332 0.000000 Sb\n",
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{
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"created_at": "2022-09-04T14:37:07.032811Z",
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"structure_string": "Tm6 Fe2 Si6\n1.0\n4.064049 -0.000000 0.670657\n2.003289 5.165074 0.509462\n0.002764 -0.042337 12.632242\nTm Fe Si\n6 2 6\ndirect\n0.748666 0.732288 0.770380 Tm\n0.251334 0.267711 0.229620 Tm\n0.523872 0.331975 0.620281 Tm\n0.476128 0.668024 0.379719 Tm\n0.399363 0.282262 0.919010 Tm\n0.600637 0.717737 0.080990 Tm\n0.752800 0.079323 0.415076 Fe\n0.247200 0.920675 0.584924 Fe\n0.143563 0.256747 0.456127 Si\n0.856438 0.743252 0.543873 Si\n0.116365 0.842510 0.924756 Si\n0.883635 0.157488 0.075244 Si\n0.053391 0.135317 0.757900 Si\n0.946610 0.864682 0.242100 Si\n",
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"density": 8.10155474822225,
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"formula_full": "Tm6 Fe2 Si6",
"formula_reduced": "Tm3FeSi3",
"formula_anonymous": "AB3C3",
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"spacegroup": 12
},
{
"id": "jvasp-15106",
"created_at": "2022-09-04T14:36:59.455730Z",
"updated_at": "2022-09-04T14:36:59.455761Z",
"structure_string": "Tm1 Fe2 Si2\n1.0\n3.701954 -0.000000 -1.354772\n-0.495794 3.668604 -1.354772\n-0.091262 -0.104425 5.485862\nTm Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.749999 0.249999 0.500000 Fe\n0.250001 0.749999 0.500000 Fe\n0.632703 0.632703 0.265408 Si\n0.367297 0.367295 0.734592 Si\n",
"nsites": 5,
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],
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"volume": 73.45606230869852,
"volume_molar": 8.84725493796626,
"formula_full": "Tm1 Fe2 Si2",
"formula_reduced": "Tm(FeSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.950706489999999,
"spacegroup": 139
},
{
"id": "jvasp-103035",
"created_at": "2022-09-04T14:36:34.042066Z",
"updated_at": "2022-09-04T14:36:34.042087Z",
"structure_string": "Tm2 Ga2 Au2\n1.0\n4.468791 0.019204 3.437337\n2.244797 3.864111 3.437337\n-0.010577 -0.006118 6.995608\nTm Ga Au\n2 2 2\ndirect\n0.462717 0.462716 0.297897 Tm\n0.537284 0.537283 0.702105 Tm\n0.156731 0.156730 0.896222 Ga\n0.843270 0.843268 0.103780 Ga\n0.822720 0.822718 0.711024 Au\n0.177280 0.177280 0.288978 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Ga",
"Au"
],
"chemical_system": "Au-Ga-Tm",
"density": 11.987793916324572,
"density_atomic": 0.04971641990479563,
"volume": 120.68447429420077,
"volume_molar": 12.112981529104644,
"formula_full": "Tm2 Ga2 Au2",
"formula_reduced": "TmGaAu",
"formula_anonymous": "ABC",
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"spacegroup": 12
},
{
"id": "jvasp-15963",
"created_at": "2022-09-04T14:38:31.521624Z",
"updated_at": "2022-09-04T14:38:31.521647Z",
"structure_string": "Tm3 Ga1 C1\n1.0\n5.181021 0.000000 0.000000\n0.000000 5.181021 0.000000\n-0.000000 -0.000000 5.181021\nTm Ga C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Tm\n0.500000 0.000000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "C-Ga-Tm",
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"volume": 139.0740358417975,
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"formula_full": "Tm3 Ga1 C1",
"formula_reduced": "Tm3GaC",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.281023015,
"spacegroup": 221
},
{
"id": "jvasp-35437",
"created_at": "2022-09-04T14:37:46.418499Z",
"updated_at": "2022-09-04T14:37:46.418517Z",
"structure_string": "Tm1 Ga5 Co1\n1.0\n4.197054 0.000000 -0.000000\n0.000000 4.197054 0.000000\n0.000000 -0.000000 6.771530\nTm Ga Co\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.308982 Ga\n0.000000 0.500000 0.691018 Ga\n0.500000 0.000000 0.308982 Ga\n0.500000 0.000000 0.691018 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Co\n",
"nsites": 7,
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"elements": [
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"Co"
],
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"density": 8.02526225144206,
"density_atomic": 0.05868432576283072,
"volume": 119.28227697954803,
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"formula_full": "Tm1 Ga5 Co1",
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"formula_anonymous": "ABC5",
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"spacegroup": 123
},
{
"id": "jvasp-103637",
"created_at": "2022-09-04T14:36:49.702224Z",
"updated_at": "2022-09-04T14:36:49.702244Z",
"structure_string": "Tm1 Ga1 Cu2\n1.0\n3.891424 -0.000000 2.246715\n1.297141 3.668870 2.246715\n-0.000000 -0.000000 4.493430\nTm Ga Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.499999 0.500000 0.499999 Ga\n0.749999 0.750000 0.749999 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
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"elements": [
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"Cu"
],
"chemical_system": "Cu-Ga-Tm",
"density": 9.467027465757377,
"density_atomic": 0.06235067137646483,
"volume": 64.15327873293532,
"volume_molar": 9.658501868631275,
"formula_full": "Tm1 Ga1 Cu2",
"formula_reduced": "TmGaCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107998",
"created_at": "2022-09-04T14:36:21.852430Z",
"updated_at": "2022-09-04T14:36:21.852455Z",
"structure_string": "Tm2 Ga1 Cu1\n1.0\n4.240306 -0.000000 2.448142\n1.413435 3.997798 2.448142\n-0.000000 -0.000000 4.896283\nTm Ga Cu\n2 1 1\ndirect\n0.250001 0.250000 0.249999 Tm\n0.750002 0.750000 0.749998 Tm\n0.000000 0.000000 0.000000 Ga\n0.500001 0.500000 0.499999 Cu\n",
"nsites": 4,
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"elements": [
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],
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"density": 9.425668040215458,
"density_atomic": 0.04819205378747186,
"volume": 83.00123538291392,
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"formula_full": "Tm2 Ga1 Cu1",
"formula_reduced": "Tm2GaCu",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-53263",
"created_at": "2022-09-04T14:38:29.111166Z",
"updated_at": "2022-09-04T14:38:29.111195Z",
"structure_string": "Tm2 Ga8 Fe1\n1.0\n4.194822 0.000000 0.000000\n0.000000 4.194822 -0.000000\n-0.000000 -0.000000 11.099591\nTm Ga Fe\n2 8 1\ndirect\n0.000000 0.000000 0.694413 Tm\n0.000000 0.000000 0.305587 Tm\n0.500000 0.000000 0.883636 Ga\n0.500000 0.500000 0.305396 Ga\n0.500000 0.000000 0.116364 Ga\n0.000000 0.500000 0.883636 Ga\n0.000000 0.500000 0.116364 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.694604 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 11,
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"elements": [
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],
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"density": 8.089518310042536,
"density_atomic": 0.056319479832703724,
"volume": 195.31430390826327,
"volume_molar": 10.69282027797254,
"formula_full": "Tm2 Ga8 Fe1",
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"formula_anonymous": "AB2C8",
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"spacegroup": 123
},
{
"id": "jvasp-110049",
"created_at": "2022-09-04T14:38:20.300947Z",
"updated_at": "2022-09-04T14:38:20.300968Z",
"structure_string": "Tm1 Ga1 Ni2\n1.0\n3.802382 -0.000000 2.195306\n1.267461 3.584920 2.195306\n0.000000 0.000000 4.390613\nTm Ga Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500001 Ga\n0.250000 0.250000 0.250000 Ni\n0.749999 0.750000 0.750001 Ni\n",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-107245",
"created_at": "2022-09-04T14:38:48.018353Z",
"updated_at": "2022-09-04T14:38:48.018388Z",
"structure_string": "Tm3 Ga5 Ni1\n1.0\n6.812287 0.000000 0.000000\n-3.406144 5.899614 0.000000\n-0.000000 -0.000000 4.160056\nTm Ga Ni\n3 5 1\ndirect\n0.595734 -0.000000 -0.000000 Tm\n0.000000 0.595733 -0.000000 Tm\n0.404267 0.404266 -0.000000 Tm\n0.236831 -0.000000 0.500000 Ga\n0.000000 0.236830 0.500000 Ga\n0.763170 0.763169 0.500000 Ga\n0.333334 0.666666 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 9,
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"volume": 167.19208386239728,
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"formula_full": "Tm3 Ga5 Ni1",
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"formula_anonymous": "AB3C5",
"energy_above_hull": 0.303322975,
"spacegroup": 189
},
{
"id": "jvasp-105365",
"created_at": "2022-09-04T14:36:55.378726Z",
"updated_at": "2022-09-04T14:36:55.378734Z",
"structure_string": "Tm2 Ga3 Ni1\n1.0\n4.285928 -0.001605 3.393447\n2.127231 3.720763 3.393447\n-0.001351 -0.000784 6.950098\nTm Ga Ni\n2 3 1\ndirect\n0.538360 0.538361 0.709840 Tm\n0.453051 0.453052 0.296744 Tm\n0.851937 0.851938 0.679155 Ga\n0.823857 0.823858 0.125603 Ga\n0.163227 0.163228 0.906575 Ga\n0.169567 0.169568 0.282084 Ni\n",
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"formula_full": "Tm2 Ga3 Ni1",
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"spacegroup": 8
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]
}