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{
"id": "jvasp-79793",
"created_at": "2022-09-04T14:36:47.540108Z",
"updated_at": "2022-09-04T14:36:47.540129Z",
"structure_string": "Zn2 Te2\n1.0\n4.319988 -0.160888 -0.000000\n-0.609441 4.279808 -0.000000\n-0.000000 -0.000000 5.498751\nZn Te\n2 2\ndirect\n0.639284 0.360716 0.750000 Zn\n0.360717 0.639284 0.250000 Zn\n0.228455 0.771546 0.750000 Te\n0.771546 0.228454 0.250000 Te\n",
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{
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"created_at": "2022-09-04T14:37:12.954380Z",
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"structure_string": "Zn2 Te2 Mo2 O12\n1.0\n5.073319 0.000000 0.000000\n0.000000 5.302659 0.000000\n0.000000 0.000000 8.924802\nZn Te Mo O\n2 2 2 12\ndirect\n0.500000 0.500000 0.522844 Zn\n0.000000 0.000000 0.477156 Zn\n0.000000 0.500000 0.251452 Te\n0.500000 0.000000 0.748547 Te\n0.000000 0.500000 0.811513 Mo\n0.500000 0.000000 0.188487 Mo\n0.761068 0.177609 0.291361 O\n0.238932 0.822391 0.291361 O\n0.722447 0.175486 0.607147 O\n0.261068 0.322391 0.708639 O\n0.846038 0.286463 0.927702 O\n0.738932 0.677609 0.708639 O\n0.277553 0.824515 0.607147 O\n0.153962 0.713537 0.927702 O\n0.777553 0.675486 0.392853 O\n0.222447 0.324515 0.392853 O\n0.653962 0.786463 0.072298 O\n0.346038 0.213537 0.072298 O\n",
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"spacegroup": 18
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{
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"created_at": "2022-09-04T14:36:16.280148Z",
"updated_at": "2022-09-04T14:36:16.280157Z",
"structure_string": "Zn2 W2 O8\n1.0\n4.406541 -0.176553 -1.945120\n-1.178534 4.302102 -1.944389\n0.765712 0.903503 7.065970\nZn W O\n2 2 8\ndirect\n0.370599 0.620626 0.241232 Zn\n0.629401 0.379373 0.758767 Zn\n0.838475 0.088491 0.176974 W\n0.161524 0.911507 0.823026 W\n0.871565 0.593754 0.651719 O\n0.506969 0.266812 0.089568 O\n0.719818 0.942060 0.348291 O\n0.917412 0.177242 0.910434 O\n0.128436 0.406246 0.348281 O\n0.280183 0.057940 0.651708 O\n0.493032 0.733187 0.910431 O\n0.082587 0.822759 0.089566 O\n",
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],
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"density": 6.983632848481036,
"density_atomic": 0.08055586884757188,
"volume": 148.96493789554236,
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"formula_full": "Zn2 W2 O8",
"formula_reduced": "ZnWO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6227107333333337,
"spacegroup": 15
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{
"id": "jvasp-60701",
"created_at": "2022-09-04T14:37:06.765289Z",
"updated_at": "2022-09-04T14:37:06.765316Z",
"structure_string": "Zn2 W2 O8\n1.0\n4.815444 0.045730 -0.001182\n-0.498488 4.840177 -0.000336\n-2.157203 -2.442298 6.381916\nZn W O\n2 2 8\ndirect\n0.369833 0.619817 0.239643 Zn\n0.630167 0.380184 0.760358 Zn\n0.838901 0.088893 0.177781 W\n0.161098 0.911107 0.822219 W\n0.871087 0.593776 0.651362 O\n0.507400 0.266795 0.089169 O\n0.719753 0.942405 0.348630 O\n0.918221 0.177629 0.910833 O\n0.128912 0.406224 0.348638 O\n0.280247 0.057596 0.651370 O\n0.492600 0.733206 0.910831 O\n0.081778 0.822371 0.089167 O\n",
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"elements": [
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"volume": 148.87493580702392,
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"formula_full": "Zn2 W2 O8",
"formula_reduced": "ZnWO4",
"formula_anonymous": "ABC4",
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"spacegroup": 15
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{
"id": "jvasp-29340",
"created_at": "2022-09-04T14:37:05.490295Z",
"updated_at": "2022-09-04T14:37:05.490312Z",
"structure_string": "Zn3 As2 H16 O16\n1.0\n4.589908 -0.980596 -1.472747\n-2.960169 9.073259 -0.933250\n-1.292261 1.353176 9.405137\nZn As H O\n3 2 16 16\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.622666 0.377334 Zn\n0.000000 0.377334 0.622666 Zn\n0.749517 0.688696 0.688696 As\n0.250484 0.311304 0.311304 As\n0.399614 0.794960 -0.006640 H\n0.600386 0.006639 0.205039 H\n0.988339 0.490455 0.183208 H\n0.011662 0.816792 0.509545 H\n0.011662 0.509545 0.816792 H\n0.988339 0.183208 0.490455 H\n0.466074 0.891048 0.505277 H\n0.399614 -0.006639 0.794961 H\n0.466074 0.505277 0.891048 H\n0.533926 0.108953 0.494723 H\n0.678037 0.720769 0.079524 H\n0.321963 0.920475 0.279230 H\n0.533926 0.494723 0.108952 H\n0.600386 0.205039 0.006639 H\n0.678037 0.079525 0.720770 H\n0.321964 0.279231 0.920476 H\n0.228445 0.855787 0.424288 O\n0.020824 0.839477 0.839477 O\n0.979177 0.160523 0.160523 O\n0.309811 0.610450 0.610450 O\n0.690189 0.389550 0.389550 O\n0.784953 0.516692 0.743074 O\n0.215047 0.256926 0.483308 O\n0.215047 0.483308 0.256926 O\n0.784953 0.743074 0.516692 O\n0.360245 0.958994 0.185051 O\n0.639756 0.814949 0.041005 O\n0.639756 0.041006 0.814950 O\n0.360246 0.185051 0.958995 O\n0.228445 0.424289 0.855787 O\n0.771555 0.575712 0.144213 O\n0.771556 0.144213 0.575712 O\n",
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"H",
"O"
],
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"density": 2.8703909089013853,
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"volume": 357.62541036689294,
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"formula_full": "Zn3 As2 H16 O16",
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"spacegroup": 12
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{
"id": "jvasp-39580",
"created_at": "2022-09-04T14:37:45.662515Z",
"updated_at": "2022-09-04T14:37:45.662530Z",
"structure_string": "Zn3 B1\n1.0\n-1.856684 1.856684 3.756079\n1.856684 -1.856684 3.756079\n1.856684 1.856684 -3.756079\nZn B\n3 1\ndirect\n0.250000 0.750001 0.500000 Zn\n0.750001 0.250000 0.500000 Zn\n0.499999 0.499999 0.000000 Zn\n0.000000 0.000000 0.000000 B\n",
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"density": 6.637865710629353,
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"volume": 51.792956088310916,
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"formula_full": "Zn3 B1",
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"spacegroup": 139
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{
"id": "jvasp-79364",
"created_at": "2022-09-04T14:37:16.935930Z",
"updated_at": "2022-09-04T14:37:16.935957Z",
"structure_string": "Zn3 B1\n1.0\n3.719685 -0.000000 0.000000\n-0.000000 3.719685 -0.000000\n-0.000000 -0.000000 3.719685\nZn B\n3 1\ndirect\n0.000000 0.500002 0.500002 Zn\n0.500002 0.000000 0.500002 Zn\n0.500002 0.500002 0.000000 Zn\n0.000000 0.000000 0.000000 B\n",
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"volume": 51.46577181931975,
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},
{
"id": "jvasp-79111",
"created_at": "2022-09-04T14:36:45.066121Z",
"updated_at": "2022-09-04T14:36:45.066149Z",
"structure_string": "Zn3 C1\n1.0\n-1.837450 1.837450 3.801223\n1.837450 -1.837450 3.801223\n1.837450 1.837450 -3.801223\nZn C\n3 1\ndirect\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.499999 0.499999 0.000000 Zn\n0.000000 0.000000 0.000000 C\n",
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{
"id": "jvasp-39579",
"created_at": "2022-09-04T14:37:45.436854Z",
"updated_at": "2022-09-04T14:37:45.436881Z",
"structure_string": "Zn3 C1\n1.0\n3.714940 -0.000000 0.000000\n-0.000000 3.714940 -0.000000\n0.000000 0.000000 3.714940\nZn C\n3 1\ndirect\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 C\n",
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{
"id": "jvasp-37605",
"created_at": "2022-09-04T14:37:52.642563Z",
"updated_at": "2022-09-04T14:37:52.642573Z",
"structure_string": "Zn3 Cd1\n1.0\n-2.058585 2.058585 4.098909\n2.058585 -2.058585 4.098909\n2.058585 2.058585 -4.098909\nZn Cd\n3 1\ndirect\n0.749999 0.250000 0.499999 Zn\n0.250000 0.749999 0.499999 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Cd\n",
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{
"id": "jvasp-110120",
"created_at": "2022-09-04T14:38:03.135163Z",
"updated_at": "2022-09-04T14:38:03.135183Z",
"structure_string": "Zn3 Cd1 O4\n1.0\n3.331527 0.000000 0.000000\n-1.665764 2.885187 0.000000\n-0.000000 -0.000000 11.026302\nZn Cd O\n3 1 4\ndirect\n0.666668 0.333334 0.251213 Zn\n0.000000 0.000000 0.014571 Zn\n0.000000 0.000000 0.487641 Zn\n0.666668 0.333334 0.756386 Cd\n0.666668 0.333334 0.958459 O\n0.666668 0.333334 0.431294 O\n0.000000 0.000000 0.665631 O\n0.000000 0.000000 0.194805 O\n",
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{
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"updated_at": "2022-09-04T14:38:03.871012Z",
"structure_string": "Zn3 Cd1 S4\n1.0\n5.551371 -0.000000 -0.000000\n-0.000000 5.551371 -0.000000\n-0.000000 0.000000 5.551371\nZn Cd S\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Cd\n0.262259 0.262259 0.262259 S\n0.737741 0.737741 0.262259 S\n0.262259 0.737741 0.737741 S\n0.737741 0.262259 0.737741 S\n",
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