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{
"id": "jvasp-9262",
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"updated_at": "2022-09-04T14:38:32.322569Z",
"structure_string": "Sr2 Y1 Tl1 Fe2 O7\n1.0\n3.825638 0.000000 -0.000000\n0.000000 3.825638 -0.000000\n0.000000 -0.000000 12.547794\nSr Y Tl Fe O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.198548 Sr\n0.500000 0.500000 0.801414 Sr\n0.500000 0.500000 0.500004 Y\n0.000000 0.000000 0.999982 Tl\n0.000000 0.000000 0.359161 Fe\n0.000000 0.000000 0.640845 Fe\n0.000000 0.500000 0.385770 O\n0.500000 0.000000 0.385770 O\n0.000000 0.500000 0.614258 O\n0.500000 0.000000 0.614258 O\n0.000000 0.000000 0.205476 O\n0.000000 0.000000 0.794533 O\n0.500000 0.500000 0.999983 O\n",
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{
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"structure_string": "Pu4 Ga4\n1.0\n5.469846 0.146425 -2.460366\n-3.222427 4.944871 -1.076226\n0.095421 -0.146425 5.996959\nPu Ga\n4 4\ndirect\n-0.000000 0.149740 0.149740 Pu\n-0.000001 0.850258 0.850258 Pu\n0.500000 0.250000 0.750000 Pu\n0.500000 0.750000 0.249999 Pu\n-0.000001 0.698777 0.301222 Ga\n0.602446 0.301223 0.301222 Ga\n-0.000001 0.301222 0.698777 Ga\n0.397554 0.698777 0.698776 Ga\n",
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{
"id": "jvasp-19695",
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"updated_at": "2022-09-04T14:38:32.317790Z",
"structure_string": "Al4 Au4\n1.0\n0.000000 6.260210 -0.134811\n3.598640 0.000000 0.000000\n0.000000 -0.137087 -6.301524\nAl Au\n4 4\ndirect\n0.425264 0.250000 0.180141 Al\n0.574736 0.750000 0.819858 Al\n0.074868 0.250000 0.680157 Al\n0.925132 0.750000 0.319842 Al\n0.690457 0.250000 0.508001 Au\n0.309543 0.750000 0.491998 Au\n0.809567 0.250000 0.007895 Au\n0.190432 0.750000 -0.007895 Au\n",
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{
"id": "jvasp-12473",
"created_at": "2022-09-04T14:38:32.311168Z",
"updated_at": "2022-09-04T14:38:32.311192Z",
"structure_string": "Pb4 Br4 Cl4\n1.0\n4.602543 0.000000 0.000000\n0.000000 7.809562 0.000000\n0.000000 0.000000 9.250005\nPb Br Cl\n4 4 4\ndirect\n0.250000 0.251740 0.604079 Pb\n0.750000 0.748260 0.395920 Pb\n0.250000 0.751740 0.895920 Pb\n0.750000 0.248260 0.104080 Pb\n0.750000 0.972972 0.668164 Br\n0.250000 0.527027 0.168164 Br\n0.750000 0.472972 0.831835 Br\n0.250000 0.027027 0.331835 Br\n0.750000 0.858385 0.069583 Cl\n0.250000 0.641615 0.569583 Cl\n0.750000 0.358385 0.430417 Cl\n0.250000 0.141615 0.930416 Cl\n",
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"formula_full": "Pb4 Br4 Cl4",
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{
"id": "jvasp-116568",
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"updated_at": "2022-09-04T14:38:32.311084Z",
"structure_string": "Mn24 C4\n1.0\n6.371872 -0.000000 3.678802\n2.123957 6.007459 3.678802\n-0.000000 -0.000000 7.357604\nMn C\n24 4\ndirect\n0.625000 0.625000 0.124999 Mn\n0.801241 0.198759 0.198759 Mn\n0.198759 0.801241 0.198759 Mn\n0.801241 0.801241 0.198759 Mn\n0.198759 0.801241 0.801240 Mn\n0.801241 0.198759 0.801240 Mn\n0.198759 0.198759 0.801240 Mn\n0.448759 0.051241 0.051241 Mn\n0.051241 0.448759 0.051241 Mn\n0.448759 0.448759 0.051240 Mn\n0.051241 0.448759 0.448759 Mn\n0.051241 0.051241 0.448759 Mn\n0.448759 0.051241 0.448759 Mn\n0.494089 0.835303 0.835302 Mn\n0.835303 0.494089 0.835302 Mn\n0.835303 0.835303 0.494089 Mn\n0.414697 0.414697 0.414696 Mn\n0.755910 0.414697 0.414696 Mn\n0.414697 0.755911 0.414696 Mn\n0.414697 0.414697 0.755910 Mn\n0.625000 0.625000 0.624999 Mn\n0.125000 0.625000 0.624999 Mn\n0.625000 0.125000 0.624999 Mn\n0.835303 0.835303 0.835302 Mn\n0.625000 0.125000 0.125000 C\n0.125000 0.125000 0.625000 C\n0.125000 0.625000 0.125000 C\n0.125000 0.125000 0.125000 C\n",
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{
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"created_at": "2022-09-04T14:38:32.310443Z",
"updated_at": "2022-09-04T14:38:32.310464Z",
"structure_string": "Na8 P1 O3\n1.0\n5.896271 0.000000 -0.000000\n-0.000000 5.896271 -0.000000\n0.000000 0.000000 5.896271\nNa P O\n8 1 3\ndirect\n0.264748 0.264748 0.264748 Na\n0.735252 0.735252 0.264748 Na\n0.735252 0.264748 0.735252 Na\n0.264748 0.735252 0.735252 Na\n0.264748 0.264748 0.735252 Na\n0.735252 0.735252 0.735252 Na\n0.735252 0.264748 0.264748 Na\n0.264748 0.735252 0.264748 Na\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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"volume": 204.98982660445228,
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"formula_full": "Na8 P1 O3",
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"spacegroup": 221
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{
"id": "jvasp-40256",
"created_at": "2022-09-04T14:38:32.305384Z",
"updated_at": "2022-09-04T14:38:32.305410Z",
"structure_string": "Sm2 Ga6\n1.0\n3.205904 -5.552788 -0.000000\n3.205904 5.552788 0.000000\n-0.000000 0.000000 4.524085\nSm Ga\n2 6\ndirect\n0.333332 0.666666 0.749999 Sm\n0.666666 0.333332 0.250000 Sm\n0.709259 0.854629 0.250000 Ga\n0.145370 0.854629 0.250000 Ga\n0.145370 0.290740 0.250000 Ga\n0.290740 0.145370 0.749999 Ga\n0.854629 0.145370 0.749999 Ga\n0.854629 0.709259 0.749999 Ga\n",
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"formula_full": "Sm2 Ga6",
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{
"id": "jvasp-19779",
"created_at": "2022-09-04T14:38:32.304530Z",
"updated_at": "2022-09-04T14:38:32.304555Z",
"structure_string": "Sm1 O1\n1.0\n3.029252 -0.000000 1.748940\n1.009751 2.856006 1.748940\n-0.000000 0.000000 3.497879\nSm O\n1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.499999 0.500001 0.500000 O\n",
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{
"id": "jvasp-59782",
"created_at": "2022-09-04T14:38:32.304427Z",
"updated_at": "2022-09-04T14:38:32.304445Z",
"structure_string": "Ca1 Ti4 Cu3 O12\n1.0\n6.078711 -0.000000 -2.149149\n-3.039355 5.264318 -2.149149\n-0.000000 -0.000000 6.447447\nCa Ti Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 -0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n-0.000000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.302730 0.125786 0.823056 O\n0.874214 0.176944 0.697270 O\n0.823055 0.302731 0.125786 O\n0.520325 0.823056 0.697269 O\n0.697269 0.874214 0.176944 O\n0.125785 0.823056 0.302730 O\n0.479674 0.176944 0.302730 O\n0.302730 0.479674 0.176944 O\n0.823055 0.697270 0.520326 O\n0.176944 0.697270 0.874214 O\n0.176944 0.302731 0.479674 O\n0.697269 0.520326 0.823056 O\n",
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{
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"created_at": "2022-09-04T14:38:32.303525Z",
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"structure_string": "Sc7 Cl12\n1.0\n7.686825 -0.001858 -2.411273\n-3.283013 6.950476 -2.411272\n-0.001176 -0.001858 8.056148\nSc Cl\n7 12\ndirect\n0.312306 0.031217 0.104978 Sc\n0.031217 0.104977 0.312306 Sc\n0.687694 0.968783 0.895023 Sc\n0.895023 0.687693 0.968783 Sc\n0.968783 0.895022 0.687695 Sc\n0.500000 0.500000 0.500000 Sc\n0.104978 0.312306 0.031218 Sc\n0.225606 0.684516 0.075988 Cl\n0.684516 0.075987 0.225606 Cl\n0.613193 0.844873 0.533348 Cl\n0.315484 0.924013 0.774395 Cl\n0.075987 0.225606 0.684516 Cl\n0.466653 0.386807 0.155127 Cl\n0.155127 0.466653 0.386808 Cl\n0.386807 0.155127 0.466653 Cl\n0.533347 0.613193 0.844874 Cl\n0.844873 0.533347 0.613193 Cl\n0.774394 0.315484 0.924013 Cl\n0.924014 0.774394 0.315485 Cl\n",
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{
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{
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