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{
"id": "jvasp-2100",
"created_at": "2022-09-04T14:36:55.197473Z",
"updated_at": "2022-09-04T14:36:55.197492Z",
"structure_string": "Ba2 S4\n1.0\n4.579470 -0.000000 1.369528\n2.221502 4.672990 0.912923\n-0.000962 0.032631 8.344463\nBa S\n2 4\ndirect\n0.142109 0.250000 0.750000 Ba\n0.857891 0.750000 0.250000 Ba\n0.482936 0.300491 0.022259 S\n0.805686 0.199509 0.477741 S\n0.194314 0.800491 0.522258 S\n0.517064 0.699509 0.977741 S\n",
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{
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"created_at": "2022-09-04T14:38:49.341468Z",
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"structure_string": "Ba1 Rh1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nBa Rh\n1 1\ndirect\n0.000000 0.000000 0.871909 Ba\n0.000000 0.000000 0.128090 Rh\n",
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{
"id": "jvasp-93273",
"created_at": "2022-09-04T14:36:03.698936Z",
"updated_at": "2022-09-04T14:36:03.698954Z",
"structure_string": "Ba2 Rh4\n1.0\n4.866273 -0.000000 2.809544\n1.622092 4.587965 2.809544\n-0.000000 0.000000 5.619087\nBa Rh\n2 4\ndirect\n0.375000 0.375000 0.375000 Ba\n0.624999 0.625001 0.625000 Ba\n-0.000000 0.500001 -0.000000 Rh\n0.500000 0.000000 -0.000000 Rh\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
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"elements": [
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"chemical_system": "Ba-Rh",
"density": 9.08375865314088,
"density_atomic": 0.047826536196504156,
"volume": 125.45336704602424,
"volume_molar": 12.59163058611839,
"formula_full": "Ba2 Rh4",
"formula_reduced": "BaRh2",
"formula_anonymous": "AB2",
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"spacegroup": 227
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{
"id": "jvasp-18875",
"created_at": "2022-09-04T14:36:03.846310Z",
"updated_at": "2022-09-04T14:36:03.846340Z",
"structure_string": "Ba2 Pt2\n1.0\n2.559343 -4.432912 -0.000000\n2.559343 4.432912 0.000000\n0.000000 0.000000 5.499031\nBa Pt\n2 2\ndirect\n0.666666 0.333332 0.750000 Ba\n0.333332 0.666666 0.250000 Ba\n0.000000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ba-Pt",
"density": 8.84750288558839,
"density_atomic": 0.032057247064587034,
"volume": 124.77677799160476,
"volume_molar": 18.78558301611785,
"formula_full": "Ba2 Pt2",
"formula_reduced": "BaPt",
"formula_anonymous": "AB",
"energy_above_hull": 0.3601336850000001,
"spacegroup": 194
},
{
"id": "jvasp-19816",
"created_at": "2022-09-04T14:35:50.480973Z",
"updated_at": "2022-09-04T14:35:50.480995Z",
"structure_string": "Ba2 Pt4\n1.0\n4.941827 -0.000000 2.853165\n1.647276 4.659200 2.853165\n-0.000000 -0.000000 5.706330\nBa Pt\n2 4\ndirect\n0.875001 0.875000 0.875001 Ba\n0.125000 0.125000 0.125000 Ba\n0.500001 0.500000 0.500000 Pt\n0.500001 0.500000 0.000001 Pt\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
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],
"chemical_system": "Ba-Pt",
"density": 13.333423265273105,
"density_atomic": 0.04566626323124311,
"volume": 131.3880220419487,
"volume_molar": 13.187286048576626,
"formula_full": "Ba2 Pt4",
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"formula_anonymous": "AB2",
"energy_above_hull": 1.2043995899999995,
"spacegroup": 227
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{
"id": "jvasp-19843",
"created_at": "2022-09-04T14:36:00.272255Z",
"updated_at": "2022-09-04T14:36:00.272283Z",
"structure_string": "Ba1 Pt5\n1.0\n2.815073 -4.875850 -0.000000\n2.815073 4.875850 0.000000\n0.000000 0.000000 4.348200\nBa Pt\n1 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.000000 Pt\n0.666667 0.333333 0.000000 Pt\n-0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 -0.000000 0.500000 Pt\n",
"nsites": 6,
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"elements": [
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"density": 15.479824200348299,
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"volume": 119.36568793206162,
"volume_molar": 11.980616244018472,
"formula_full": "Ba1 Pt5",
"formula_reduced": "BaPt5",
"formula_anonymous": "AB5",
"energy_above_hull": 2.292668828333334,
"spacegroup": 191
},
{
"id": "jvasp-100309",
"created_at": "2022-09-04T14:36:31.378292Z",
"updated_at": "2022-09-04T14:36:31.378316Z",
"structure_string": "Ba8 Pt2\n1.0\n8.062161 0.000000 4.654691\n2.687387 7.601079 4.654691\n-0.000000 -0.000000 9.309382\nBa Pt\n8 2\ndirect\n0.379398 0.379398 0.379398 Ba\n0.379398 0.379398 0.861807 Ba\n0.379398 0.861808 0.379397 Ba\n0.870602 0.870602 0.388192 Ba\n0.870602 0.870602 0.870602 Ba\n0.861808 0.379398 0.379397 Ba\n0.870602 0.388192 0.870602 Ba\n0.388193 0.870602 0.870602 Ba\n0.000000 0.000000 0.000000 Pt\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Ba-Pt",
"density": 4.333444370614064,
"density_atomic": 0.017528810078887153,
"volume": 570.4893803398928,
"volume_molar": 34.35567350492011,
"formula_full": "Ba8 Pt2",
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"formula_anonymous": "AB4",
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"spacegroup": 227
},
{
"id": "jvasp-109024",
"created_at": "2022-09-04T14:37:47.521142Z",
"updated_at": "2022-09-04T14:37:47.521155Z",
"structure_string": "Ba6 Pr2\n1.0\n8.370566 -0.000000 0.000000\n-4.185283 7.249123 0.000000\n-0.000000 -0.000000 6.671152\nBa Pr\n6 2\ndirect\n0.171535 0.343069 0.250000 Ba\n0.656931 0.828465 0.250000 Ba\n0.171535 0.828465 0.250000 Ba\n0.828466 0.656931 0.750000 Ba\n0.343069 0.171535 0.750000 Ba\n0.828466 0.171535 0.750000 Ba\n0.333334 0.666666 0.750000 Pr\n0.666667 0.333333 0.250000 Pr\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Pr"
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"density": 4.5360270724936065,
"density_atomic": 0.019762817363798122,
"volume": 404.80058347624777,
"volume_molar": 30.472076167801177,
"formula_full": "Ba6 Pr2",
"formula_reduced": "Ba3Pr",
"formula_anonymous": "AB3",
"energy_above_hull": 0.26794694,
"spacegroup": 194
},
{
"id": "jvasp-109924",
"created_at": "2022-09-04T14:38:19.320506Z",
"updated_at": "2022-09-04T14:38:19.320533Z",
"structure_string": "Ba1 Pm3\n1.0\n4.882636 0.058785 -4.251447\n-0.974186 4.784826 -4.251447\n-0.047436 -0.058785 6.474001\nBa Pm\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Pm\n0.249999 0.750000 0.499999 Pm\n0.500000 0.500001 0.000000 Pm\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.02680908410540295,
"volume": 149.2031575667989,
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"formula_full": "Ba1 Pm3",
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"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-111249",
"created_at": "2022-09-04T14:38:43.748197Z",
"updated_at": "2022-09-04T14:38:43.748222Z",
"structure_string": "Ba6 Pm2\n1.0\n8.329187 -0.000000 0.000000\n-4.164593 7.213288 0.000000\n-0.000000 -0.000000 6.650628\nBa Pm\n6 2\ndirect\n0.828415 0.171585 0.750000 Ba\n0.343171 0.171585 0.750000 Ba\n0.828415 0.656830 0.750000 Ba\n0.171586 0.828415 0.250000 Ba\n0.656830 0.828415 0.250000 Ba\n0.171586 0.343171 0.250000 Ba\n0.666667 0.333333 0.250000 Pm\n0.333334 0.666667 0.750000 Pm\n",
"nsites": 8,
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"density": 4.62935976044506,
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"volume": 399.57521459296436,
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"spacegroup": 194
},
{
"id": "jvasp-105722",
"created_at": "2022-09-04T14:36:07.174023Z",
"updated_at": "2022-09-04T14:36:07.174050Z",
"structure_string": "Ba3 Pm1\n1.0\n5.293642 -0.071313 -4.713198\n-1.111768 5.176070 -4.713198\n0.058421 0.071313 7.087558\nBa Pm\n3 1\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.499999 Ba\n0.500000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.000000 Pm\n",
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"volume": 197.23681900725515,
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"spacegroup": 139
},
{
"id": "jvasp-36189",
"created_at": "2022-09-04T14:38:32.548315Z",
"updated_at": "2022-09-04T14:38:32.548345Z",
"structure_string": "Ba2 Pd2\n1.0\n-4.434677 0.000000 0.000000\n0.000000 0.000000 -4.709751\n-2.217338 -5.911638 -0.000000\nBa Pd\n2 2\ndirect\n0.138480 0.750000 0.723041 Ba\n0.861521 0.250000 0.276960 Ba\n0.427582 0.750000 0.144836 Pd\n0.572419 0.250000 0.855164 Pd\n",
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"volume": 123.47179804899879,
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"formula_full": "Ba2 Pd2",
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"formula_anonymous": "AB",
"energy_above_hull": 0.160060835,
"spacegroup": 63
}
]
}