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{
"id": "jvasp-123651",
"created_at": "2022-09-04T14:38:55.032890Z",
"updated_at": "2022-09-04T14:38:55.032920Z",
"structure_string": "Cd1 Se2\n1.0\n2.348027 -3.708797 -0.775432\n2.037901 3.529746 -0.000000\n-0.922855 0.532810 5.345610\nCd Se\n1 2\ndirect\n-0.000000 0.333364 0.166667 Cd\n0.789798 0.728218 0.434269 Se\n0.210204 -0.061579 0.899065 Se\n",
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{
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"created_at": "2022-09-04T14:35:56.740946Z",
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"structure_string": "Cd1 Se1\n1.0\n3.777046 -0.000000 2.180679\n1.259016 3.561033 2.180679\n0.000000 0.000000 4.361357\nCd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250001 0.250000 0.250000 Se\n",
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{
"id": "jvasp-102467",
"created_at": "2022-09-04T14:36:47.991055Z",
"updated_at": "2022-09-04T14:36:47.991075Z",
"structure_string": "Cd3 Se1\n1.0\n3.896385 0.043789 -5.577527\n-0.350203 3.880862 -5.577527\n-0.039567 -0.043789 6.803606\nCd Se\n3 1\ndirect\n0.750001 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.500001 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Se\n",
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"elements": [
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"density": 6.835854930689153,
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"volume": 101.0999710720573,
"volume_molar": 15.22095641569643,
"formula_full": "Cd3 Se1",
"formula_reduced": "Cd3Se",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-7671",
"created_at": "2022-09-04T14:36:47.966757Z",
"updated_at": "2022-09-04T14:36:47.966781Z",
"structure_string": "Cd2 Se2\n1.0\n2.178876 -3.773924 -0.000000\n2.178876 3.773924 -0.000000\n-0.000000 -0.000000 7.136169\nCd Se\n2 2\ndirect\n0.666668 0.333334 0.499463 Cd\n0.333334 0.666668 -0.000537 Cd\n0.666668 0.333334 0.124677 Se\n0.333334 0.666668 0.624678 Se\n",
"nsites": 4,
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"elements": [
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"density": 5.415448523021333,
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"volume": 117.36018553714047,
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"formula_full": "Cd2 Se2",
"formula_reduced": "CdSe",
"formula_anonymous": "AB",
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"spacegroup": 186
},
{
"id": "jvasp-19612",
"created_at": "2022-09-04T14:38:32.519526Z",
"updated_at": "2022-09-04T14:38:32.519548Z",
"structure_string": "Cd1 Se1\n1.0\n3.506152 0.000000 2.024278\n1.168717 3.305633 2.024278\n-0.000000 0.000000 4.048556\nCd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500001 Se\n",
"nsites": 2,
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"elements": [
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],
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"density": 6.7723547238820165,
"density_atomic": 0.04262304470161367,
"volume": 46.92297356984171,
"volume_molar": 14.128837585767322,
"formula_full": "Cd1 Se1",
"formula_reduced": "CdSe",
"formula_anonymous": "AB",
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"spacegroup": 225
},
{
"id": "jvasp-78441",
"created_at": "2022-09-04T14:37:14.646638Z",
"updated_at": "2022-09-04T14:37:14.646672Z",
"structure_string": "Cd1 Se1\n1.0\n-3.083946 -3.083946 0.000000\n-3.083946 -0.000000 -3.083946\n-0.000000 -3.083946 -3.083946\nCd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750001 0.750001 0.750001 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
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],
"chemical_system": "Cd-Se",
"density": 5.417200791648542,
"density_atomic": 0.03409413725566028,
"volume": 58.66111187981335,
"volume_molar": 17.66327364391721,
"formula_full": "Cd1 Se1",
"formula_reduced": "CdSe",
"formula_anonymous": "AB",
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"spacegroup": 216
},
{
"id": "jvasp-122552",
"created_at": "2022-09-04T14:38:53.610649Z",
"updated_at": "2022-09-04T14:38:53.610664Z",
"structure_string": "Cd1 Sn7\n1.0\n6.619804 0.000000 -0.000000\n0.000000 6.619804 -0.000000\n-0.000000 0.000000 6.619804\nCd Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Cd\n0.247386 0.247386 0.747386 Sn\n0.000000 0.500000 0.000000 Sn\n0.247386 0.752613 0.252613 Sn\n0.500000 0.000000 0.000000 Sn\n0.752613 0.247386 0.252613 Sn\n0.500000 0.500000 0.500000 Sn\n0.752613 0.752613 0.747386 Sn\n",
"nsites": 8,
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"elements": [
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"density": 5.400087907023653,
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"volume": 290.0917600157343,
"volume_molar": 21.837167651636147,
"formula_full": "Cd1 Sn7",
"formula_reduced": "CdSn7",
"formula_anonymous": "AB7",
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"spacegroup": 215
},
{
"id": "jvasp-100156",
"created_at": "2022-09-04T14:36:38.632573Z",
"updated_at": "2022-09-04T14:36:38.632600Z",
"structure_string": "Cd1 Sn1\n1.0\n3.340388 0.000000 -0.000000\n-1.670193 2.892860 0.000000\n0.000000 0.000000 5.392324\nCd Sn\n1 1\ndirect\n0.333334 0.666667 0.500000 Cd\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Cd-Sn",
"density": 7.365261909032762,
"density_atomic": 0.03838218419424425,
"volume": 52.10750878267938,
"volume_molar": 15.689937627111572,
"formula_full": "Cd1 Sn1",
"formula_reduced": "CdSn",
"formula_anonymous": "AB",
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"spacegroup": 187
},
{
"id": "jvasp-109515",
"created_at": "2022-09-04T14:38:20.316782Z",
"updated_at": "2022-09-04T14:38:20.316813Z",
"structure_string": "Cd1 Sn3\n1.0\n4.197863 -0.135008 -4.314823\n-0.788555 4.125344 -4.314823\n0.115350 0.135008 6.018841\nCd Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.749999 0.250000 0.500000 Sn\n0.249999 0.749999 0.499999 Sn\n0.499999 0.499999 -0.000001 Sn\n",
"nsites": 4,
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"elements": [
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],
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"density": 7.163098776277658,
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"volume": 108.6164883528436,
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"formula_full": "Cd1 Sn3",
"formula_reduced": "CdSn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.08040835,
"spacegroup": 139
},
{
"id": "jvasp-110769",
"created_at": "2022-09-04T14:38:38.155774Z",
"updated_at": "2022-09-04T14:38:38.155798Z",
"structure_string": "Cd2 Sn6\n1.0\n6.677100 0.000000 0.000000\n-3.338550 5.782538 0.000000\n-0.000000 -0.000000 5.611175\nCd Sn\n2 6\ndirect\n0.333333 0.666667 0.749999 Cd\n0.666667 0.333333 0.250000 Cd\n0.167017 0.334035 0.250000 Sn\n0.665965 0.832983 0.250000 Sn\n0.167017 0.832983 0.250000 Sn\n0.832983 0.665965 0.749999 Sn\n0.334035 0.167017 0.749999 Sn\n0.832983 0.167017 0.749999 Sn\n",
"nsites": 8,
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"elements": [
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],
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"density": 7.182348991133332,
"density_atomic": 0.036925790167346095,
"volume": 216.65074636844176,
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"formula_full": "Cd2 Sn6",
"formula_reduced": "CdSn3",
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"spacegroup": 194
},
{
"id": "jvasp-114768",
"created_at": "2022-09-04T14:38:41.959738Z",
"updated_at": "2022-09-04T14:38:41.959773Z",
"structure_string": "Cd1 Te2\n1.0\n6.424627 0.255181 0.353313\n-2.350188 -2.102125 0.129194\n0.289182 -0.689679 -7.715694\nCd Te\n1 2\ndirect\n0.053061 0.079219 0.970953 Cd\n0.533679 0.312048 0.198216 Te\n0.113321 0.132276 0.618065 Te\n",
"nsites": 3,
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"formula_full": "Cd1 Te2",
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"spacegroup": 1
},
{
"id": "jvasp-110765",
"created_at": "2022-09-04T14:38:37.388921Z",
"updated_at": "2022-09-04T14:38:37.388946Z",
"structure_string": "Cd3 Te1\n1.0\n4.450609 0.645557 -5.386697\n-0.091715 4.496249 -5.386697\n-0.547262 -0.645557 6.965984\nCd Te\n3 1\ndirect\n0.750001 0.250000 0.500000 Cd\n0.250001 0.750000 0.500000 Cd\n0.500001 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Te\n",
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"formula_full": "Cd3 Te1",
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}