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{
"id": "jvasp-79111",
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"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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{
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{
"id": "jvasp-39580",
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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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"density_atomic": 0.10346020983811295,
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"formula_full": "Zn3 As2 H16 O16",
"formula_reduced": "Zn3As2(HO)16",
"formula_anonymous": "A2B3C16D16",
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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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],
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"density": 6.987854791808179,
"density_atomic": 0.08060456876068618,
"volume": 148.87493580702392,
"volume_molar": 7.471215158882185,
"formula_full": "Zn2 W2 O8",
"formula_reduced": "ZnWO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.610584066666667,
"spacegroup": 15
},
{
"id": "jvasp-12125",
"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",
"nsites": 12,
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"volume": 148.96493789554236,
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"formula_full": "Zn2 W2 O8",
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{
"id": "jvasp-29526",
"created_at": "2022-09-04T14:37:12.954380Z",
"updated_at": "2022-09-04T14:37:12.954412Z",
"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",
"nsites": 18,
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"elements": [
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"O"
],
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"density": 5.324683116767936,
"density_atomic": 0.07497009216992336,
"volume": 240.09574323587768,
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"formula_full": "Zn2 Te2 Mo2 O12",
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"formula_anonymous": "ABCD6",
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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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"volume": 101.1257010791721,
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"formula_full": "Zn2 Te2",
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"spacegroup": 63
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{
"id": "jvasp-8186",
"created_at": "2022-09-04T14:37:04.400776Z",
"updated_at": "2022-09-04T14:37:04.400802Z",
"structure_string": "Zn2 Te2\n1.0\n2.172253 -3.762451 0.000000\n2.172253 3.762451 -0.000000\n0.000000 0.000000 7.165593\nZn Te\n2 2\ndirect\n0.333332 0.666666 0.000928 Zn\n0.666666 0.333332 0.500928 Zn\n0.333332 0.666666 0.374072 Te\n0.666666 0.333332 0.874071 Te\n",
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{
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"created_at": "2022-09-04T14:37:01.433909Z",
"updated_at": "2022-09-04T14:37:01.433941Z",
"structure_string": "Zn2 Te1 Se1\n1.0\n4.034462 0.001899 6.068562\n1.834569 3.593222 6.068562\n0.003100 0.001899 7.287272\nZn Te Se\n2 1 1\ndirect\n0.994834 0.994834 0.994834 Zn\n0.504934 0.504934 0.504934 Zn\n0.375576 0.375576 0.375576 Te\n0.874655 0.874656 0.874655 Se\n",
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{
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"created_at": "2022-09-04T14:36:18.193306Z",
"updated_at": "2022-09-04T14:36:18.193332Z",
"structure_string": "Zn2 Te12 O26\n1.0\n8.254811 0.000021 2.669358\n1.942269 8.023060 2.669358\n0.000027 0.000021 8.675677\nZn Te O\n2 12 26\ndirect\n0.256000 0.256000 0.256000 Zn\n0.744000 0.744000 0.744001 Zn\n0.827072 0.417112 0.527471 Te\n0.417112 0.527471 0.827072 Te\n0.582888 0.472529 0.172928 Te\n0.172928 0.582888 0.472529 Te\n0.332624 0.933671 0.015549 Te\n0.472529 0.172928 0.582888 Te\n0.933671 0.015549 0.332624 Te\n0.527471 0.827072 0.417112 Te\n0.015549 0.332624 0.933671 Te\n0.667376 0.066329 0.984451 Te\n0.984451 0.667376 0.066329 Te\n0.066329 0.984451 0.667376 Te\n0.115318 0.456167 0.364228 O\n0.084174 0.084174 0.084174 O\n0.625407 0.382425 0.701348 O\n0.701348 0.625407 0.382425 O\n0.798328 0.302710 0.045461 O\n0.954539 0.201672 0.697291 O\n0.924405 0.605324 0.894821 O\n0.394676 0.105180 0.075595 O\n0.045461 0.798328 0.302710 O\n0.456167 0.364228 0.115318 O\n0.635772 0.884682 0.543834 O\n0.697290 0.954539 0.201672 O\n0.543833 0.635772 0.884683 O\n0.075595 0.394676 0.105180 O\n0.884682 0.543833 0.635773 O\n0.364228 0.115318 0.456167 O\n0.605324 0.894820 0.924406 O\n0.105180 0.075595 0.394676 O\n0.201672 0.697290 0.954539 O\n0.302710 0.045461 0.798328 O\n0.374593 0.617575 0.298652 O\n0.915826 0.915826 0.915827 O\n0.382425 0.701348 0.625407 O\n0.298652 0.374593 0.617575 O\n0.617575 0.298652 0.374593 O\n0.894820 0.924405 0.605325 O\n",
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"formula_full": "Zn2 Te12 O26",
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},
{
"id": "jvasp-75624",
"created_at": "2022-09-04T14:35:59.052128Z",
"updated_at": "2022-09-04T14:35:59.052153Z",
"structure_string": "Zn2 Tc1 As1\n1.0\n0.000000 3.131669 3.131669\n3.131669 0.000000 3.131669\n3.131669 3.131669 0.000000\nZn Tc As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Tc\n0.500000 0.500000 0.500000 As\n",
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],
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"density": 8.210941511975143,
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"volume": 61.42675247873379,
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"formula_full": "Zn2 Tc1 As1",
"formula_reduced": "Zn2TcAs",
"formula_anonymous": "ABC2",
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"spacegroup": 216
}
]
}