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{
"id": "jvasp-79913",
"created_at": "2022-09-04T14:37:15.863365Z",
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"structure_string": "Nb1 Zn1 Rh2\n1.0\n-0.000000 3.112794 3.112794\n3.112794 0.000000 3.112794\n3.112794 3.112794 -0.000000\nNb Zn Rh\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Nb\n0.750000 0.750000 0.750000 Zn\n0.000000 0.000000 0.000000 Rh\n0.499999 0.499999 0.499999 Rh\n",
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{
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"structure_string": "Nb2 Sb2\n1.0\n3.606584 0.000000 -0.000000\n-1.803292 3.123395 -0.000000\n-0.000000 -0.000000 7.658624\nNb Sb\n2 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.500000 Nb\n0.333332 0.666666 0.250000 Sb\n0.666666 0.333333 0.750000 Sb\n",
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{
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{
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"updated_at": "2022-09-04T14:38:45.417515Z",
"structure_string": "Li6 Co4 O10\n1.0\n2.827960 -0.044710 0.015091\n-1.337120 4.663075 -0.953561\n-0.067216 -0.057807 12.371083\nLi Co O\n6 4 10\ndirect\n0.399925 0.299650 0.296638 Li\n-0.000001 0.500000 0.500000 Li\n0.600074 0.700350 0.703362 Li\n0.195457 0.891157 0.909160 Li\n0.804542 0.108843 0.090840 Li\n0.500000 0.500000 0.000000 Li\n0.699994 0.899980 0.399911 Co\n0.300005 0.100021 0.600089 Co\n0.101091 0.702268 0.195119 Co\n0.898908 0.297732 0.804881 Co\n0.847229 0.194506 0.937117 O\n0.736147 0.972117 0.254332 O\n0.335699 0.171135 0.451717 O\n0.933464 0.366711 0.650957 O\n0.531240 0.562157 0.842465 O\n0.152770 0.805495 0.062883 O\n0.066535 0.633290 0.349042 O\n0.664300 0.828865 0.548282 O\n0.263852 0.027884 0.745668 O\n0.468759 0.437844 0.157534 O\n",
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"formula_full": "Li6 Co4 O10",
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"spacegroup": 12
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{
"id": "jvasp-11478",
"created_at": "2022-09-04T14:38:15.040121Z",
"updated_at": "2022-09-04T14:38:15.040147Z",
"structure_string": "Ho2 V2 O8\n1.0\n5.710943 0.002853 -1.670361\n-3.206705 4.725667 -1.670361\n-0.001511 -0.002853 5.950209\nHo V O\n2 2 8\ndirect\n0.125000 0.875002 0.250000 Ho\n0.875000 0.125000 0.750000 Ho\n0.374999 0.625000 0.749999 V\n0.624999 0.374999 0.249999 V\n0.800430 0.736238 0.435806 O\n0.364623 0.800432 0.564194 O\n0.736238 0.800432 0.935808 O\n0.800430 0.364624 0.064193 O\n0.635377 0.199570 0.435807 O\n0.199569 0.263764 0.564193 O\n0.263762 0.199570 0.064193 O\n0.199570 0.635378 0.935808 O\n",
"nsites": 12,
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"formula_full": "Ho2 V2 O8",
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{
"id": "jvasp-103371",
"created_at": "2022-09-04T14:36:36.762353Z",
"updated_at": "2022-09-04T14:36:36.762378Z",
"structure_string": "Ba2 Tb1 Ta1 O6\n1.0\n5.224975 -0.000000 3.016641\n1.741659 4.926153 3.016641\n-0.000000 -0.000000 6.033281\nTb Ba Ta O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Tb\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ta\n0.764527 0.235472 0.235473 O\n0.235473 0.764527 0.764527 O\n0.235473 0.764527 0.235472 O\n0.764527 0.235472 0.764528 O\n0.235472 0.235472 0.764527 O\n0.764527 0.764527 0.235473 O\n",
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"volume": 155.29077816038097,
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"formula_full": "Ba2 Tb1 Ta1 O6",
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{
"id": "jvasp-11349",
"created_at": "2022-09-04T14:37:17.068724Z",
"updated_at": "2022-09-04T14:37:17.068743Z",
"structure_string": "Ti4 Zn2 O10\n1.0\n3.329196 0.000000 0.000000\n0.000000 4.817294 0.000000\n0.000000 0.000000 12.396709\nTi Zn O\n4 2 10\ndirect\n0.000000 0.547015 0.357042 Ti\n0.500001 0.452984 0.142958 Ti\n0.500001 0.452984 0.857042 Ti\n0.000000 0.547015 0.642958 Ti\n0.500001 0.045624 0.500000 Zn\n0.000000 0.954375 0.000000 Zn\n0.500001 0.610517 0.000000 O\n0.000000 0.389483 0.500000 O\n0.500001 0.399717 0.315841 O\n0.000000 0.600283 0.184159 O\n0.500001 0.399717 0.684159 O\n0.000000 0.600283 0.815841 O\n0.000000 0.899851 0.604757 O\n0.500001 0.100148 0.895243 O\n0.500001 0.100148 0.104757 O\n0.000000 0.899851 0.395243 O\n",
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"density": 4.028092422625307,
"density_atomic": 0.08047686678849454,
"volume": 198.81489723065928,
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"formula_full": "Ti4 Zn2 O10",
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"spacegroup": 59
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{
"id": "jvasp-23444",
"created_at": "2022-09-04T14:37:36.018080Z",
"updated_at": "2022-09-04T14:37:36.018095Z",
"structure_string": "B4 Pd12\n1.0\n4.896644 0.000000 0.000000\n0.000000 5.515631 0.000000\n0.000000 0.000000 7.696201\nB Pd\n4 12\ndirect\n0.565290 0.111160 0.750000 B\n0.065290 0.388840 0.250000 B\n0.934709 0.611159 0.750000 B\n0.434710 0.888840 0.250000 B\n0.675825 0.819955 0.928267 Pd\n0.175825 0.680045 0.071733 Pd\n0.824174 0.319955 0.571733 Pd\n0.324174 0.180045 0.428267 Pd\n0.841434 0.038190 0.250000 Pd\n0.341434 0.461809 0.750000 Pd\n0.658565 0.538190 0.250000 Pd\n0.158566 0.961809 0.750000 Pd\n0.675825 0.819955 0.571733 Pd\n0.175825 0.680045 0.428267 Pd\n0.824174 0.319955 0.928267 Pd\n0.324174 0.180045 0.071733 Pd\n",
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{
"id": "jvasp-10360",
"created_at": "2022-09-04T14:36:38.324447Z",
"updated_at": "2022-09-04T14:36:38.324467Z",
"structure_string": "Sb4 O10\n1.0\n9.764069 0.000000 0.000000\n0.000000 5.093345 -1.993390\n0.000000 -0.000000 3.986782\nSb O\n4 10\ndirect\n0.184959 0.770134 0.885066 Sb\n0.315041 0.229867 0.614934 Sb\n0.684959 0.229867 0.614934 Sb\n0.815041 0.770134 0.885066 Sb\n0.000000 0.921861 0.960931 O\n0.129621 0.399144 0.699572 O\n0.213464 0.867166 0.433583 O\n0.286536 0.132833 0.066416 O\n0.370379 0.600857 0.800428 O\n0.500000 0.078140 0.539069 O\n0.629621 0.600857 0.800428 O\n0.870379 0.399144 0.699572 O\n0.713464 0.132833 0.066416 O\n0.786536 0.867166 0.433583 O\n",
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"formula_full": "Sb4 O10",
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{
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"created_at": "2022-09-04T14:38:44.388197Z",
"updated_at": "2022-09-04T14:38:44.388214Z",
"structure_string": "Ca4 Mn4 O10\n1.0\n3.803073 -0.000000 0.000000\n0.000000 5.400960 0.000000\n-0.000000 -0.000000 10.185382\nCa Mn O\n4 4 10\ndirect\n0.500000 0.689283 0.867335 Ca\n0.500000 0.310717 0.132665 Ca\n0.500000 0.189283 0.632665 Ca\n0.500000 0.810717 0.367335 Ca\n-0.000000 0.716691 0.619163 Mn\n-0.000000 0.283309 0.380837 Mn\n-0.000000 0.783309 0.119163 Mn\n-0.000000 0.216691 0.880837 Mn\n0.500000 0.706493 0.601487 O\n-0.000000 0.417360 0.714518 O\n0.500000 0.206493 0.898513 O\n0.500000 0.793507 0.101487 O\n0.000000 0.000000 0.500000 O\n-0.000000 0.082640 0.214518 O\n-0.000000 0.582641 0.285482 O\n-0.000000 0.500000 -0.000000 O\n-0.000000 0.917360 0.785482 O\n0.500000 0.293507 0.398513 O\n",
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{
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"updated_at": "2022-09-04T14:37:36.459545Z",
"structure_string": "Lu2 Ru1 Rh1\n1.0\n0.000000 3.323345 3.323345\n3.323345 -0.000000 3.323345\n3.323345 3.323345 -0.000000\nLu Ru Rh\n2 1 1\ndirect\n0.499999 0.499999 0.499999 Lu\n0.000000 0.000000 0.000000 Lu\n0.749999 0.749999 0.749999 Ru\n0.250001 0.250001 0.250001 Rh\n",
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{
"id": "jvasp-12481",
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"structure_string": "B3 N3 Cl6\n1.0\n6.042468 -0.081648 -0.271764\n-0.280570 6.036502 -0.271764\n-0.079002 -0.081648 6.048060\nB N Cl\n3 3 6\ndirect\n0.188906 0.932769 0.874417 B\n0.874417 0.188905 0.932771 B\n0.932771 0.874416 0.188907 B\n0.817130 0.062963 0.118762 N\n0.118761 0.817130 0.062964 N\n0.062964 0.118761 0.817130 N\n0.409197 0.850601 0.720858 Cl\n0.720858 0.409196 0.850602 Cl\n0.850602 0.720857 0.409198 Cl\n0.596898 0.139692 0.266807 Cl\n0.266806 0.596898 0.139692 Cl\n0.139692 0.266806 0.596898 Cl\n",
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}