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{
"id": "jvasp-86637",
"created_at": "2022-09-04T14:36:13.483533Z",
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"structure_string": "Bi4 Mo2 O12\n1.0\n5.440711 0.000000 -0.000000\n0.000000 5.117386 -1.733105\n-0.000000 0.106461 8.736025\nBi Mo O\n4 2 12\ndirect\n0.518994 0.171770 0.343539 Bi\n0.481006 0.828230 0.656460 Bi\n0.018994 0.328230 0.656460 Bi\n0.981006 0.671771 0.343539 Bi\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 -0.000000 Mo\n0.926127 0.110803 0.221607 O\n0.250000 0.768674 0.037346 O\n0.750000 0.731327 0.962653 O\n0.426127 0.389197 0.778392 O\n0.750000 0.231327 0.962653 O\n0.250000 0.498174 0.496347 O\n0.250000 0.268673 0.037346 O\n0.750000 0.001826 0.503652 O\n0.573873 0.610803 0.221607 O\n0.073873 0.889198 0.778392 O\n0.750000 0.501826 0.503652 O\n0.250000 0.998175 0.496347 O\n",
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{
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"structure_string": "Bi4 Mo2 O12\n1.0\n5.440711 -0.000000 0.000000\n-0.000000 5.117386 -1.733105\n-0.000000 0.106461 8.736025\nBi Mo O\n4 2 12\ndirect\n0.518994 0.171770 0.343539 Bi\n0.481006 0.828230 0.656460 Bi\n0.018994 0.328230 0.656460 Bi\n0.981006 0.671771 0.343539 Bi\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 -0.000000 Mo\n0.926127 0.110803 0.221607 O\n0.250000 0.768674 0.037346 O\n0.750000 0.731327 0.962653 O\n0.426127 0.389197 0.778392 O\n0.750000 0.231327 0.962653 O\n0.250000 0.498174 0.496347 O\n0.250000 0.268673 0.037346 O\n0.750000 0.001826 0.503652 O\n0.573873 0.610803 0.221607 O\n0.073873 0.889198 0.778392 O\n0.750000 0.501826 0.503652 O\n0.250000 0.998175 0.496347 O\n",
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{
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"updated_at": "2022-09-04T14:36:37.291251Z",
"structure_string": "Ta1 S2\n1.0\n-1.671101 -2.894433 0.000000\n1.671101 -2.894433 -0.000000\n0.000000 -1.929622 6.150356\nTa S\n1 2\ndirect\n0.999969 0.999969 0.000092 Ta\n0.751383 0.751383 0.745848 S\n0.581646 0.581646 0.255060 S\n",
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{
"id": "jvasp-15841",
"created_at": "2022-09-04T14:38:03.775188Z",
"updated_at": "2022-09-04T14:38:03.775220Z",
"structure_string": "Ta1 S2\n1.0\n3.260576 0.022929 5.561174\n1.527606 2.880677 5.561174\n0.037811 0.022929 6.446440\nTa S\n1 2\ndirect\n0.166698 0.166698 0.166697 Ta\n0.585016 0.585016 0.585013 S\n0.415288 0.415288 0.415286 S\n",
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{
"id": "jvasp-588",
"created_at": "2022-09-04T14:38:39.778851Z",
"updated_at": "2022-09-04T14:38:39.778874Z",
"structure_string": "Ta1 S2\n1.0\n3.260576 0.022929 5.561174\n1.527606 2.880677 5.561174\n0.037811 0.022929 6.446440\nTa S\n1 2\ndirect\n0.166698 0.166698 0.166697 Ta\n0.585016 0.585016 0.585013 S\n0.415288 0.415288 0.415286 S\n",
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{
"id": "jvasp-21976",
"created_at": "2022-09-04T14:37:31.993565Z",
"updated_at": "2022-09-04T14:37:31.993596Z",
"structure_string": "Ti3 Ni1 S6\n1.0\n5.261176 -0.002206 3.974226\n1.977346 4.875458 3.974226\n-0.003277 -0.002207 6.593514\nTi Ni S\n3 1 6\ndirect\n0.670621 0.670620 0.670621 Ti\n0.329380 0.329379 0.329380 Ti\n0.000000 0.000000 0.000000 Ti\n0.500001 0.499999 0.500000 Ni\n0.088832 0.751248 0.416483 S\n0.751249 0.416482 0.088832 S\n0.416483 0.088831 0.751248 S\n0.911169 0.248751 0.583518 S\n0.583518 0.911168 0.248753 S\n0.248753 0.583517 0.911169 S\n",
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{
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"created_at": "2022-09-04T14:37:19.868115Z",
"updated_at": "2022-09-04T14:37:19.868132Z",
"structure_string": "Ca2 Cr4 O8\n1.0\n3.074081 0.000438 0.000194\n1.536035 6.708640 -0.001107\n1.536172 1.194436 7.540785\nCa Cr O\n2 4 8\ndirect\n0.647019 0.853419 0.844632 Ca\n0.350646 0.113518 0.177252 Ca\n0.361991 0.433581 0.834514 Cr\n0.859765 0.787782 0.484771 Cr\n0.137913 0.179156 0.537113 Cr\n0.635676 0.533356 0.187371 Cr\n0.134781 0.401865 0.320656 O\n0.540632 0.211472 0.699361 O\n0.457045 0.755466 0.322524 O\n0.862888 0.565071 0.701227 O\n0.839324 0.309094 0.004326 O\n0.237854 0.887144 0.629236 O\n0.158340 0.657844 0.017560 O\n0.759817 0.079795 0.392648 O\n",
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"elements": [
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"density": 4.4434983583770755,
"density_atomic": 0.09002623574217732,
"volume": 155.5102230431367,
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"formula_full": "Ca2 Cr4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 12
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{
"id": "jvasp-122440",
"created_at": "2022-09-04T14:38:54.429761Z",
"updated_at": "2022-09-04T14:38:54.429788Z",
"structure_string": "Li2 H6 Pt1 O6\n1.0\n5.459764 -0.000000 0.000000\n-2.729881 4.728294 0.000000\n-0.000000 -0.000000 4.583847\nLi H Pt O\n2 6 1 6\ndirect\n0.666666 0.333333 -0.000000 Li\n0.333333 0.666666 -0.000000 Li\n0.307104 0.307104 0.433808 H\n0.692895 0.692895 0.566192 H\n0.692895 0.000000 0.433808 H\n0.307104 0.000000 0.566192 H\n-0.000000 0.692895 0.433808 H\n-0.000000 0.307104 0.566192 H\n0.000000 0.000000 0.000000 Pt\n0.324841 0.324841 0.221798 O\n0.675158 0.675158 0.778203 O\n0.675158 0.000000 0.221798 O\n0.324841 0.000000 0.778203 O\n-0.000000 0.675158 0.221798 O\n-0.000000 0.324841 0.778203 O\n",
"nsites": 15,
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"elements": [
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"formula_full": "Li2 H6 Pt1 O6",
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{
"id": "jvasp-17694",
"created_at": "2022-09-04T14:38:12.757355Z",
"updated_at": "2022-09-04T14:38:12.757383Z",
"structure_string": "Pr3 Pb1 C1\n1.0\n5.905269 -0.000000 0.000000\n0.000000 5.905269 -0.000000\n0.000000 -0.000000 5.905269\nPr Pb C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
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"spacegroup": 221
},
{
"id": "jvasp-119115",
"created_at": "2022-09-04T14:38:34.930457Z",
"updated_at": "2022-09-04T14:38:34.930483Z",
"structure_string": "Zr4 Mn4 Ni4\n1.0\n4.982618 0.006124 0.000000\n-2.621228 4.237415 0.000000\n0.000000 -0.000000 7.970523\nZr Mn Ni\n4 4 4\ndirect\n0.334638 0.665360 0.189846 Zr\n0.665056 0.334943 0.310583 Zr\n0.665056 0.334943 0.689416 Zr\n0.334638 0.665360 0.810154 Zr\n0.006544 0.993454 0.241172 Mn\n0.006544 0.993454 0.758828 Mn\n0.824347 0.668849 -0.000000 Mn\n0.331149 0.175651 -0.000000 Mn\n0.824033 0.175966 -0.000000 Ni\n0.168657 0.329704 0.500000 Ni\n0.670295 0.831341 0.500000 Ni\n0.167607 0.832391 0.500000 Ni\n",
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"formula_full": "Zr4 Mn4 Ni4",
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{
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"created_at": "2022-09-04T14:37:04.944390Z",
"updated_at": "2022-09-04T14:37:04.944417Z",
"structure_string": "Li2 Bi2 B4 O10\n1.0\n0.000000 5.288528 -0.036367\n4.394145 0.000000 0.000000\n0.000000 -0.667900 -7.424366\nLi Bi B O\n2 2 4 10\ndirect\n0.160806 0.319398 0.109931 Li\n0.839194 0.819398 0.890070 Li\n0.114621 0.343879 0.709056 Bi\n0.885380 0.843879 0.290945 Bi\n0.385201 0.792973 0.936609 B\n0.437240 0.342556 0.407565 B\n0.562760 0.842556 0.592436 B\n0.614800 0.292972 0.063391 B\n0.594373 0.229796 0.264558 O\n0.600773 0.628001 0.036733 O\n0.513015 0.177766 0.575539 O\n0.486985 0.677766 0.424462 O\n0.147522 0.667832 0.972773 O\n0.405628 0.729796 0.735443 O\n0.155896 0.304149 0.368131 O\n0.844104 0.804149 0.631870 O\n0.399228 0.128001 0.963267 O\n0.852479 0.167831 0.027228 O\n",
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{
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"structure_string": "Y1 Be1 Pt4\n1.0\n-0.000000 3.756478 3.756478\n3.756478 0.000000 3.756478\n3.756478 3.756478 -0.000000\nY Be Pt\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Be\n0.122684 0.625773 0.625773 Pt\n0.625773 0.625773 0.625773 Pt\n0.625773 0.122684 0.625773 Pt\n0.625773 0.625773 0.122684 Pt\n",
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}
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}