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{
"id": "jvasp-109155",
"created_at": "2022-09-04T14:38:20.149278Z",
"updated_at": "2022-09-04T14:38:20.149298Z",
"structure_string": "Ni3 Sb2 Te2\n1.0\n5.619420 0.014200 3.306186\n4.208398 3.723905 3.306186\n-0.002766 -0.001052 6.782741\nNi Sb Te\n3 2 2\ndirect\n0.254510 0.254511 0.736878 Ni\n0.746380 0.746379 0.262480 Ni\n0.996219 0.996216 0.002566 Ni\n0.876013 0.876012 0.463971 Sb\n0.369697 0.369698 0.964988 Sb\n0.126413 0.126413 0.532575 Te\n0.628009 0.628008 0.036549 Te\n",
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{
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"created_at": "2022-09-04T14:37:19.648563Z",
"updated_at": "2022-09-04T14:37:19.648575Z",
"structure_string": "Ni4 Sb2 Te4\n1.0\n3.943975 0.000000 -0.000000\n-1.971987 3.415582 -0.000000\n-0.000000 -0.000000 15.964550\nNi Sb Te\n4 2 4\ndirect\n0.000000 0.000000 0.166287 Ni\n0.000000 0.000000 0.666287 Ni\n0.000000 0.000000 0.833713 Ni\n0.000000 0.000000 0.333713 Ni\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n0.333333 0.666667 0.588838 Te\n0.666667 0.333333 0.088838 Te\n0.666667 0.333333 0.411162 Te\n0.333333 0.666667 0.911162 Te\n",
"nsites": 10,
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{
"id": "jvasp-106174",
"created_at": "2022-09-04T14:36:10.274732Z",
"updated_at": "2022-09-04T14:36:10.274764Z",
"structure_string": "Ni2 Sb1 Te1\n1.0\n4.007243 0.000000 -0.000000\n-2.003621 3.470375 -0.000000\n0.000000 -0.000000 5.259897\nNi Sb Te\n2 1 1\ndirect\n0.000000 0.000000 0.746194 Ni\n0.000000 0.000000 0.253807 Ni\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666668 0.000000 Te\n",
"nsites": 4,
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"elements": [
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"density": 8.32561081613002,
"density_atomic": 0.05468404933871552,
"volume": 73.14747258791711,
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"formula_full": "Ni2 Sb1 Te1",
"formula_reduced": "Ni2SbTe",
"formula_anonymous": "ABC2",
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"spacegroup": 187
},
{
"id": "jvasp-91647",
"created_at": "2022-09-04T14:35:46.115805Z",
"updated_at": "2022-09-04T14:35:46.115825Z",
"structure_string": "Tb2 Ni2 Sb4\n1.0\n4.375669 -0.000000 0.000000\n0.000000 4.375669 0.000000\n-0.000000 0.000000 9.391411\nTb Ni Sb\n2 2 4\ndirect\n0.750000 0.750000 0.737670 Tb\n0.250000 0.250000 0.262330 Tb\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.000000 Sb\n0.750000 0.250000 0.000000 Sb\n0.750000 0.750000 0.357190 Sb\n0.250000 0.250000 0.642809 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"chemical_system": "Ni-Sb-Tb",
"density": 8.517084181063327,
"density_atomic": 0.044490800064716125,
"volume": 179.8124553472456,
"volume_molar": 13.535698956279095,
"formula_full": "Tb2 Ni2 Sb4",
"formula_reduced": "TbNiSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.24632325,
"spacegroup": 129
},
{
"id": "jvasp-8044",
"created_at": "2022-09-04T14:36:52.231099Z",
"updated_at": "2022-09-04T14:36:52.231144Z",
"structure_string": "Tb1 Ni1 Sb1\n1.0\n3.898031 -0.000000 2.250530\n1.299344 3.675100 2.250530\n-0.000000 -0.000000 4.501059\nTb Ni Sb\n1 1 1\ndirect\n0.499999 0.500000 0.500000 Tb\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
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"elements": [
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"density": 8.739862256930895,
"density_atomic": 0.046525612536823115,
"volume": 64.48061264374806,
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"formula_full": "Tb1 Ni1 Sb1",
"formula_reduced": "TbNiSb",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-101450",
"created_at": "2022-09-04T14:36:33.134308Z",
"updated_at": "2022-09-04T14:36:33.134330Z",
"structure_string": "Tb2 Ni1 Sb4\n1.0\n4.343909 0.000000 -0.000000\n0.000000 4.343909 0.000000\n-0.000000 0.000000 9.330852\nTb Ni Sb\n2 1 4\ndirect\n0.500000 0.000000 0.233290 Tb\n0.000000 0.500000 0.766710 Tb\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.000000 0.867130 Sb\n0.000000 0.500000 0.132870 Sb\n",
"nsites": 7,
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"elements": [
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],
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"density": 8.144623194221822,
"density_atomic": 0.0397571552449845,
"volume": 176.0689354373028,
"volume_molar": 15.147313038096994,
"formula_full": "Tb2 Ni1 Sb4",
"formula_reduced": "Tb2NiSb4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.577429085714286,
"spacegroup": 115
},
{
"id": "jvasp-56348",
"created_at": "2022-09-04T14:37:40.572319Z",
"updated_at": "2022-09-04T14:37:40.572343Z",
"structure_string": "Sr1 Ni2 Sb2\n1.0\n4.169580 0.000000 -1.594587\n-0.609823 4.124745 -1.594587\n0.014294 0.016563 6.286053\nSr Ni Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.499999 Ni\n0.250000 0.750001 0.499999 Ni\n0.360099 0.360100 0.720199 Sb\n0.639901 0.639901 0.279800 Sb\n",
"nsites": 5,
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"elements": [
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"Ni",
"Sb"
],
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"density": 6.875213462032404,
"density_atomic": 0.04615499367898888,
"volume": 108.33063990378463,
"volume_molar": 13.047647242429278,
"formula_full": "Sr1 Ni2 Sb2",
"formula_reduced": "Sr(NiSb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.899332662,
"spacegroup": 139
},
{
"id": "jvasp-107298",
"created_at": "2022-09-04T14:36:54.381148Z",
"updated_at": "2022-09-04T14:36:54.381166Z",
"structure_string": "Ni6 Sn1 Sb1\n1.0\n4.272400 0.000000 0.000000\n0.000000 4.530492 0.000000\n0.000000 0.000000 5.326409\nNi Sn Sb\n6 1 1\ndirect\n0.500000 0.171125 0.747452 Ni\n0.500000 0.171125 0.252548 Ni\n-0.000000 0.828383 0.748864 Ni\n-0.000000 0.828383 0.251136 Ni\n-0.000000 0.309129 0.500000 Ni\n0.500000 0.692801 -0.000000 Ni\n-0.000000 0.324829 -0.000000 Sn\n0.500000 0.674221 0.500000 Sb\n",
"nsites": 8,
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"elements": [
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"Sn",
"Sb"
],
"chemical_system": "Ni-Sb-Sn",
"density": 9.54511658273566,
"density_atomic": 0.07759579751792536,
"volume": 103.09836686905531,
"volume_molar": 7.760910967644645,
"formula_full": "Ni6 Sn1 Sb1",
"formula_reduced": "Ni6SnSb",
"formula_anonymous": "ABC6",
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"spacegroup": 25
},
{
"id": "jvasp-91519",
"created_at": "2022-09-04T14:36:19.441127Z",
"updated_at": "2022-09-04T14:36:19.441156Z",
"structure_string": "Sm2 Ni2 Sb4\n1.0\n4.395998 -0.000000 -0.000000\n0.000000 4.395998 0.000000\n-0.000000 -0.000000 9.571056\nSm Ni Sb\n2 2 4\ndirect\n0.750000 0.750000 0.739112 Sm\n0.250000 0.250000 0.260889 Sm\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.000000 Sb\n0.750000 0.250000 0.000000 Sb\n0.750000 0.750000 0.361449 Sb\n0.250000 0.250000 0.638552 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Sb"
],
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"density": 8.126308177267424,
"density_atomic": 0.04325289265304175,
"volume": 184.95872782828556,
"volume_molar": 13.923093672155812,
"formula_full": "Sm2 Ni2 Sb4",
"formula_reduced": "SmNiSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.26478836875,
"spacegroup": 129
},
{
"id": "jvasp-92401",
"created_at": "2022-09-04T14:36:08.159036Z",
"updated_at": "2022-09-04T14:36:08.159062Z",
"structure_string": "Sm1 Ni2 Sb2\n1.0\n4.033437 -0.000000 -1.607175\n-0.640399 3.982274 -1.607175\n0.121613 0.142732 6.170039\nSm Ni Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.250000 0.500001 Ni\n0.250000 0.749999 0.500000 Ni\n0.365281 0.365281 0.730563 Sb\n0.634719 0.634718 0.269438 Sb\n",
"nsites": 5,
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"elements": [
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"volume": 100.95522183029517,
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"formula_full": "Sm1 Ni2 Sb2",
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},
{
"id": "jvasp-95041",
"created_at": "2022-09-04T14:36:21.922537Z",
"updated_at": "2022-09-04T14:36:21.922563Z",
"structure_string": "Si2 Ni2 Sb2\n1.0\n4.075440 -0.000000 -0.000000\n0.000000 4.075440 -0.000000\n-0.000000 -0.000000 6.548671\nSi Ni Sb\n2 2 2\ndirect\n0.750000 0.750000 0.800743 Si\n0.250000 0.250000 0.199257 Si\n0.750000 0.250000 0.000000 Ni\n0.250000 0.750000 0.000000 Ni\n0.750000 0.750000 0.303694 Sb\n0.250000 0.250000 0.696305 Sb\n",
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"elements": [
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"volume": 108.76825967640373,
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"formula_full": "Si2 Ni2 Sb2",
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},
{
"id": "jvasp-21626",
"created_at": "2022-09-04T14:38:33.095980Z",
"updated_at": "2022-09-04T14:38:33.096005Z",
"structure_string": "Ni4 Sb4 Se4\n1.0\n6.152967 0.000000 0.000000\n-0.000000 6.152967 0.000000\n0.000000 0.000000 6.152967\nNi Sb Se\n4 4 4\ndirect\n0.991785 0.991785 0.991785 Ni\n0.508216 0.008216 0.491784 Ni\n0.491784 0.508216 0.008216 Ni\n0.008216 0.491784 0.508216 Ni\n0.369871 0.130130 0.869871 Sb\n0.869871 0.369871 0.130130 Sb\n0.630130 0.630130 0.630130 Sb\n0.130130 0.869871 0.369871 Sb\n0.875468 0.124533 0.624533 Se\n0.124533 0.624533 0.875468 Se\n0.624533 0.875468 0.124533 Se\n0.375468 0.375468 0.375468 Se\n",
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"formula_anonymous": "ABC",
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}
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}