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{
"id": "jvasp-98088",
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"updated_at": "2022-09-04T14:35:41.869634Z",
"structure_string": "Sr1 V4 Bi6 O20\n1.0\n7.122315 -0.003460 -0.555906\n-3.166318 6.968572 -2.227568\n-0.060135 -0.017624 9.333971\nSr V Bi O\n1 4 6 20\ndirect\n-0.000000 0.500000 -0.000000 Sr\n0.052104 0.775733 0.755923 V\n0.652648 0.102035 0.738273 V\n0.947896 0.224267 0.244076 V\n0.347352 0.897965 0.261726 V\n0.568881 0.704001 0.917311 Bi\n0.191792 0.214845 0.669419 Bi\n0.808208 0.785156 0.330580 Bi\n0.431119 0.295999 0.082688 Bi\n0.657421 0.370449 0.487837 Bi\n0.342579 0.629552 0.512163 Bi\n0.113143 0.739190 0.279433 O\n0.634324 0.867540 0.686876 O\n0.869645 0.663940 0.849175 O\n0.324011 0.415271 0.899956 O\n0.457173 0.115800 0.626073 O\n0.675988 0.584730 0.100043 O\n0.241638 0.688673 0.757147 O\n0.452524 0.471755 0.636169 O\n0.547476 0.528245 0.363831 O\n0.941977 0.699111 0.563740 O\n0.646687 0.190032 0.926632 O\n0.353313 0.809968 0.073367 O\n0.058023 0.300889 0.436260 O\n0.156027 0.024328 0.833652 O\n0.365675 0.132460 0.313123 O\n0.758362 0.311328 0.242852 O\n0.542827 0.884200 0.373926 O\n0.843973 0.975672 0.166347 O\n0.886857 0.260811 0.720567 O\n0.130355 0.336060 0.150824 O\n",
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"updated_at": "2022-09-04T14:35:41.873085Z",
"structure_string": "Li3 Mn5 Cr2 O12\n1.0\n5.003058 0.100319 -0.101636\n2.495485 4.337421 0.101636\n-0.817917 1.382053 9.703920\nLi Mn Cr O\n3 5 2 12\ndirect\n0.330741 0.827592 0.989494 Li\n0.827593 0.330741 0.510506 Li\n0.924019 0.924020 0.750000 Li\n0.064698 0.064698 0.250000 Mn\n0.415087 0.415087 0.250000 Mn\n0.577946 0.577946 0.750000 Mn\n0.507734 0.010840 0.511307 Mn\n0.010840 0.507733 0.988693 Mn\n0.255257 0.255257 0.750000 Cr\n0.764145 0.764146 0.250000 Cr\n0.709266 0.465349 0.144847 O\n0.612811 0.853326 0.864130 O\n0.465348 0.709266 0.355153 O\n0.779452 0.044821 0.374128 O\n0.232485 0.963982 0.635139 O\n0.131809 0.358991 0.360356 O\n0.298031 0.542850 0.860299 O\n0.358992 0.131810 0.139644 O\n0.044821 0.779452 0.125872 O\n0.963983 0.232486 0.864861 O\n0.542850 0.298031 0.639701 O\n0.853326 0.612812 0.635870 O\n",
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"elements": [
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],
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"volume": 206.72711817637185,
"volume_molar": 5.658817293487572,
"formula_full": "Li3 Mn5 Cr2 O12",
"formula_reduced": "Li3Mn5Cr2O12",
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{
"id": "jvasp-74507",
"created_at": "2022-09-04T14:35:41.875282Z",
"updated_at": "2022-09-04T14:35:41.875302Z",
"structure_string": "Li1 Mg1 Be2\n1.0\n-2.057878 2.057878 2.910246\n2.057878 -2.057878 2.910246\n2.057878 2.057878 -2.910246\nLi Mg Be\n1 1 2\ndirect\n0.500001 0.500001 0.000000 Li\n0.750001 0.250000 0.500001 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n",
"nsites": 4,
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{
"id": "jvasp-92934",
"created_at": "2022-09-04T14:35:41.878199Z",
"updated_at": "2022-09-04T14:35:41.878225Z",
"structure_string": "Rb1 Mg6 Cd1\n1.0\n8.921472 1.561687 0.000000\n-3.108274 5.383687 0.000000\n0.000000 0.000000 4.973431\nRb Mg Cd\n1 6 1\ndirect\n0.080827 0.290414 0.250000 Rb\n0.639756 0.327000 0.250000 Mg\n0.639756 0.812757 0.250000 Mg\n0.399919 0.204174 0.750000 Mg\n0.399919 0.695747 0.750000 Mg\n0.731182 0.115592 0.750000 Mg\n0.763240 0.631621 0.750000 Mg\n0.345404 0.922702 0.250000 Cd\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:35:41.879867Z",
"updated_at": "2022-09-04T14:35:41.879884Z",
"structure_string": "K1 Mg6 Cr1\n1.0\n7.623576 -2.042595 0.000000\n-5.580727 9.666102 0.000000\n0.000000 0.000000 3.121073\nK Mg Cr\n1 6 1\ndirect\n0.249971 0.374985 0.250000 K\n0.750085 0.375062 0.250000 Mg\n0.750085 0.875021 0.250000 Mg\n0.250070 0.074857 0.749999 Mg\n0.250069 0.675212 0.749999 Mg\n0.649567 0.074784 0.749999 Mg\n0.850270 0.675136 0.749999 Mg\n0.249882 0.874941 0.250000 Cr\n",
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{
"id": "jvasp-86997",
"created_at": "2022-09-04T14:35:41.881393Z",
"updated_at": "2022-09-04T14:35:41.881423Z",
"structure_string": "Ca2 Cu4 O6\n1.0\n3.584597 0.000000 0.000000\n-0.000000 4.156873 0.000000\n0.000000 0.000000 10.023060\nCa Cu O\n2 4 6\ndirect\n0.380247 0.250000 0.250000 Ca\n0.619754 0.749999 0.750000 Ca\n0.131544 0.250000 0.914483 Cu\n0.131544 0.250000 0.585517 Cu\n0.868456 0.749999 0.085517 Cu\n0.868456 0.749999 0.414483 Cu\n0.620111 0.749999 0.250000 O\n0.379890 0.250000 0.750000 O\n0.900130 0.250000 0.415422 O\n0.099871 0.749999 0.915422 O\n0.099871 0.749999 0.584578 O\n0.900130 0.250000 0.084578 O\n",
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"density_atomic": 0.08034776907327269,
"volume": 149.35075532783827,
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"formula_full": "Ca2 Cu4 O6",
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"formula_anonymous": "AB2C3",
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"spacegroup": 59
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{
"id": "jvasp-91586",
"created_at": "2022-09-04T14:35:41.881408Z",
"updated_at": "2022-09-04T14:35:41.881435Z",
"structure_string": "Ca2 Fe2 As2 F2\n1.0\n-3.877765 0.000000 0.028531\n-0.028676 0.000000 -3.877910\n0.000000 -8.297635 0.000000\nCa Fe As F\n2 2 2 2\ndirect\n0.749999 0.250000 0.158448 Ca\n0.250000 0.750000 0.841551 Ca\n0.750000 0.750000 0.500008 Fe\n0.250000 0.250000 0.499991 Fe\n0.749999 0.250000 0.655230 As\n0.250000 0.750000 0.344769 As\n0.750000 0.750000 -0.000012 F\n0.250000 0.250000 0.000012 F\n",
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],
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"volume": 124.78350124176106,
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"formula_full": "Ca2 Fe2 As2 F2",
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{
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"created_at": "2022-09-04T14:35:41.884268Z",
"updated_at": "2022-09-04T14:35:41.884284Z",
"structure_string": "Pu2 O3\n1.0\n-1.880986 -3.257867 0.000020\n-1.881320 3.258061 0.000063\n0.000133 -0.000040 -5.939029\nPu O\n2 3\ndirect\n0.333353 0.666684 0.241916 Pu\n0.666649 0.333317 0.758085 Pu\n0.000000 0.000000 0.000000 O\n0.333337 0.666671 0.641777 O\n0.666666 0.333330 0.358223 O\n",
"nsites": 5,
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{
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"updated_at": "2022-09-04T14:35:41.888220Z",
"structure_string": "Be1 Cd1 Te2\n1.0\n3.915220 0.000000 -0.000000\n0.000000 3.915220 0.000000\n0.000000 0.000000 6.814678\nBe Cd Te\n1 1 2\ndirect\n0.000000 0.000000 0.432956 Be\n0.500000 0.500000 0.934016 Cd\n0.000000 0.000000 0.786349 Te\n0.500000 0.500000 0.346680 Te\n",
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{
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"created_at": "2022-09-04T14:35:41.890638Z",
"updated_at": "2022-09-04T14:35:41.890657Z",
"structure_string": "Be1 Zn1 Cd4\n1.0\n0.000000 4.016365 4.016365\n4.016365 -0.000000 4.016365\n4.016365 4.016365 -0.000000\nBe Zn Cd\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Zn\n0.124247 0.625252 0.625252 Cd\n0.625252 0.625252 0.625252 Cd\n0.625252 0.124247 0.625252 Cd\n0.625252 0.625252 0.124247 Cd\n",
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{
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"structure_string": "Be1 Cd1 Ga2\n1.0\n2.916926 0.000000 0.000000\n0.000000 2.916926 0.000000\n-0.000000 0.000000 8.030441\nBe Cd Ga\n1 1 2\ndirect\n0.000000 0.000000 0.485656 Be\n0.500001 0.500001 0.708268 Cd\n0.000000 0.000000 0.010161 Ga\n0.500001 0.500001 0.295916 Ga\n",
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{
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"created_at": "2022-09-04T14:35:41.897651Z",
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"structure_string": "Ca1 Be1 Bi2\n1.0\n-2.367523 2.367523 4.735943\n2.367523 -2.367523 4.735943\n2.367523 2.367523 -4.735943\nCa Be Bi\n1 1 2\ndirect\n0.250000 0.749999 0.499999 Ca\n0.749999 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.000000 Bi\n",
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