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{
"id": "jvasp-9182",
"created_at": "2022-09-04T14:37:31.414192Z",
"updated_at": "2022-09-04T14:37:31.414223Z",
"structure_string": "Ba1 Mn4 O8\n1.0\n2.753200 -4.768682 0.000000\n2.753200 4.768682 -0.000000\n0.000000 -0.000000 7.273932\nBa Mn O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.253845 Mn\n0.666667 0.333333 0.253845 Mn\n0.333333 0.666667 0.746154 Mn\n0.666667 0.333333 0.746154 Mn\n0.646806 0.646806 0.298524 O\n0.000000 0.353194 0.298524 O\n0.353194 0.000000 0.298524 O\n0.353194 0.353194 0.701475 O\n0.646806 0.000000 0.701475 O\n0.000000 0.646806 0.701475 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
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"structure_string": "Te1 H6 O6\n1.0\n3.790581 3.790581 0.000000\n-0.000000 3.790581 4.900105\n3.790581 0.000000 4.900105\nTe H O\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Te\n0.289174 0.710826 0.710826 H\n0.411051 0.222350 0.777649 H\n0.222351 0.588949 0.411050 H\n0.710826 0.289174 0.289174 H\n0.588950 0.777649 0.222350 H\n0.777650 0.411050 0.588949 H\n0.190792 0.809207 0.809207 O\n0.232053 0.278714 0.721285 O\n0.278715 0.767947 0.232052 O\n0.809208 0.190792 0.190792 O\n0.767948 0.721285 0.278714 O\n0.721285 0.232052 0.767947 O\n",
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{
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"created_at": "2022-09-04T14:37:32.639967Z",
"updated_at": "2022-09-04T14:37:32.639982Z",
"structure_string": "Mg1 Sb4 O8\n1.0\n3.119821 0.113964 0.916304\n1.568630 6.368003 2.543857\n0.362201 1.293275 10.262687\nMg Sb O\n1 4 8\ndirect\n0.241865 0.144823 0.198442 Mg\n0.601024 0.266502 0.477640 Sb\n0.136636 0.719570 0.132625 Sb\n0.861824 0.371716 0.892745 Sb\n0.397546 0.773154 0.556964 Sb\n0.810112 0.675207 0.720711 O\n0.521076 0.281191 0.802491 O\n0.496703 0.755971 0.249840 O\n0.218888 0.376854 0.288704 O\n0.149600 0.049418 0.601273 O\n0.877173 0.103600 0.088081 O\n0.880507 0.010554 0.406661 O\n0.185212 0.462069 -0.007383 O\n",
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"volume": 191.64098294212718,
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"formula_full": "Mg1 Sb4 O8",
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{
"id": "jvasp-23113",
"created_at": "2022-09-04T14:37:32.191736Z",
"updated_at": "2022-09-04T14:37:32.191765Z",
"structure_string": "Lu1 Fe6 Ge6\n1.0\n2.548031 -4.413319 0.000000\n2.548031 4.413319 -0.000000\n-0.000000 -0.000000 7.834680\nLu Fe Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.750621 Fe\n0.500000 -0.000000 0.750621 Fe\n-0.000000 0.500000 0.750621 Fe\n0.500000 0.500000 0.249379 Fe\n0.500000 -0.000000 0.249379 Fe\n-0.000000 0.500000 0.249379 Fe\n0.000000 0.000000 0.656762 Ge\n0.000000 0.000000 0.343238 Ge\n0.333333 0.666667 0.500000 Ge\n0.666667 0.333333 0.500000 Ge\n0.333333 0.666667 0.000000 Ge\n0.666667 0.333333 0.000000 Ge\n",
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"volume": 176.20624072689068,
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"formula_full": "Lu1 Fe6 Ge6",
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{
"id": "jvasp-11283",
"created_at": "2022-09-04T14:37:33.353707Z",
"updated_at": "2022-09-04T14:37:33.353735Z",
"structure_string": "Ca2 Fe3 O8\n1.0\n4.705596 0.001886 -1.466221\n-0.855840 5.086572 -2.740136\n-0.001851 -0.013057 6.201218\nCa Fe O\n2 3 8\ndirect\n0.669649 0.724584 0.449167 Ca\n0.330351 0.275417 0.550833 Ca\n0.500000 0.999999 -0.000000 Fe\n1.000000 0.743652 0.000000 Fe\n1.000000 0.256349 0.000000 Fe\n0.036742 0.398163 0.796327 O\n0.963259 0.601835 0.203673 O\n0.100426 0.903639 0.807279 O\n0.899575 0.096359 0.192720 O\n0.389590 0.320560 0.199002 O\n0.389590 0.878443 0.199002 O\n0.610412 0.121556 0.800998 O\n0.610412 0.679440 0.800998 O\n",
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"elements": [
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"density": 4.2083270012030916,
"density_atomic": 0.08769573874777749,
"volume": 148.23981399357862,
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"formula_full": "Ca2 Fe3 O8",
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"formula_anonymous": "A2B3C8",
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{
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"created_at": "2022-09-04T14:37:33.660485Z",
"updated_at": "2022-09-04T14:37:33.660505Z",
"structure_string": "Ca1 Mn4 S8\n1.0\n6.014678 -0.004672 4.607798\n2.271912 5.569092 4.607798\n-0.006958 -0.004672 7.576814\nCa Mn S\n1 4 8\ndirect\n0.500000 0.500001 0.499999 Ca\n0.500001 0.999999 0.500001 Mn\n0.999999 0.500000 0.500001 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.768462 0.261899 0.768462 S\n0.231536 0.231538 0.738102 S\n0.231536 0.738103 0.231537 S\n0.738101 0.231538 0.231538 S\n0.265663 0.265665 0.265664 S\n0.734336 0.734337 0.734336 S\n0.261899 0.768463 0.768462 S\n0.768463 0.768463 0.261899 S\n",
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"density_atomic": 0.051153935453698146,
"volume": 254.1348946996838,
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{
"id": "jvasp-23760",
"created_at": "2022-09-04T14:37:34.056135Z",
"updated_at": "2022-09-04T14:37:34.056162Z",
"structure_string": "Y1 Mn6 Ge6\n1.0\n2.544816 -4.407751 0.000000\n2.544816 4.407751 -0.000000\n0.000000 -0.000000 8.103114\nY Mn Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Y\n0.500001 0.500001 0.749521 Mn\n0.000000 0.500000 0.250478 Mn\n0.500000 0.000000 0.250478 Mn\n0.500001 0.500001 0.250478 Mn\n0.000000 0.500000 0.749521 Mn\n0.500000 0.000000 0.749521 Mn\n0.666668 0.333334 0.000000 Ge\n0.000000 0.000000 0.345625 Ge\n0.000000 0.000000 0.654374 Ge\n0.666668 0.333334 0.500000 Ge\n0.333334 0.666668 0.500000 Ge\n0.333334 0.666668 0.000000 Ge\n",
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"formula_full": "Y1 Mn6 Ge6",
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"spacegroup": 191
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{
"id": "jvasp-11279",
"created_at": "2022-09-04T14:37:34.093159Z",
"updated_at": "2022-09-04T14:37:34.093186Z",
"structure_string": "Zn2 Cr3 O8\n1.0\n4.553395 -0.318743 -2.013874\n-0.858418 5.101898 -2.748393\n-0.610477 -0.022720 6.392132\nZn Cr O\n2 3 8\ndirect\n0.725935 0.688157 0.376312 Zn\n0.274062 0.311845 0.623689 Zn\n0.499999 1.000000 0.000001 Cr\n0.999998 0.738007 0.000001 Cr\n0.999998 0.261995 0.000001 Cr\n-0.004166 0.389618 0.779235 O\n0.004165 0.610381 0.220765 O\n0.028841 0.891265 0.782530 O\n0.971157 0.108735 0.217470 O\n0.448376 0.334164 0.205816 O\n0.448376 0.871652 0.205816 O\n0.551624 0.128348 0.794185 O\n0.551624 0.665836 0.794185 O\n",
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{
"id": "jvasp-86978",
"created_at": "2022-09-04T14:35:56.643214Z",
"updated_at": "2022-09-04T14:35:56.643232Z",
"structure_string": "Nb5 As4 Pd4\n1.0\n3.710624 0.000000 0.951189\n1.855312 7.502725 0.475594\n-0.007715 -0.000000 7.743332\nNb As Pd\n5 4 4\ndirect\n0.382884 0.305705 0.928528 Nb\n0.617116 0.694294 0.071471 Nb\n0.000000 0.000000 0.000000 Nb\n0.688588 0.928528 0.694294 Nb\n0.311412 0.071471 0.305705 Nb\n0.932239 0.823932 0.311587 As\n0.067761 0.176067 0.688412 As\n0.243828 0.688412 0.823932 As\n0.756172 0.311587 0.176067 As\n0.596151 0.293354 0.514344 Pd\n0.110495 0.485655 0.293354 Pd\n0.403849 0.706646 0.485655 Pd\n0.889505 0.514344 0.706646 Pd\n",
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{
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"created_at": "2022-09-04T14:35:48.598948Z",
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{
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{
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]
}