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{
"id": "jvasp-66613",
"created_at": "2022-09-04T14:35:58.209121Z",
"updated_at": "2022-09-04T14:35:58.209148Z",
"structure_string": "Ba1 Li1 Mg1\n1.0\n-0.000000 4.101838 4.101838\n4.101838 0.000000 4.101838\n4.101838 4.101838 -0.000000\nBa Li Mg\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Mg\n",
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{
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"structure_string": "Bi1 O1 F1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nBi O F\n1 1 1\ndirect\n-0.020367 -0.032659 0.000000 Bi\n-0.001910 0.278786 0.000000 O\n0.280520 -0.001833 0.000000 F\n",
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{
"id": "jvasp-112059",
"created_at": "2022-09-04T14:38:44.075399Z",
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"structure_string": "Sn1 H10 C10 O4\n1.0\n4.876414 -0.067708 0.969386\n1.421299 5.840795 0.812075\n-0.039140 0.120080 8.971974\nSn H C O\n1 10 10 4\ndirect\n0.097238 0.297677 0.217031 Sn\n0.544275 0.118128 0.021500 H\n0.502520 0.913314 0.182124 H\n0.020867 0.737224 0.268591 H\n0.282823 0.949110 0.037983 H\n0.379002 0.584061 0.263154 H\n0.126253 0.548794 0.433945 H\n0.514333 0.809151 0.428894 H\n0.405998 0.462749 0.593676 H\n0.585587 0.349829 0.839018 H\n0.998189 0.912501 0.752069 H\n0.859720 0.819855 0.719740 C\n0.791723 0.629844 0.814501 C\n0.913510 0.554371 0.957354 C\n0.629240 0.501724 0.767716 C\n0.528659 0.565948 0.629601 C\n0.392636 0.034315 0.099074 C\n0.758791 0.884761 0.580794 C\n0.874358 0.057436 0.468910 C\n0.159785 0.581070 0.310013 C\n0.588859 0.758801 0.537528 C\n0.764827 0.134240 0.344034 O\n0.804982 0.404355 0.057337 O\n0.092905 0.116696 0.484477 O\n0.119007 0.622616 0.980175 O\n",
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"formula_full": "Sn1 H10 C10 O4",
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{
"id": "jvasp-94754",
"created_at": "2022-09-04T14:35:53.035931Z",
"updated_at": "2022-09-04T14:35:53.035960Z",
"structure_string": "Mg6 Al1 Si1\n1.0\n6.140281 -0.041377 0.000000\n-3.105975 5.296952 0.000000\n0.000000 0.000000 5.081168\nMg Al Si\n6 1 1\ndirect\n0.166564 0.846000 0.250000 Mg\n0.654000 0.333435 0.250000 Mg\n0.665817 0.834182 0.250000 Mg\n0.335293 0.657601 0.750000 Mg\n0.842398 0.164706 0.750000 Mg\n0.835105 0.664894 0.750000 Mg\n0.158962 0.341038 0.250000 Al\n0.341860 0.158139 0.750000 Si\n",
"nsites": 8,
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"volume": 164.61082843246558,
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"formula_full": "Mg6 Al1 Si1",
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{
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"created_at": "2022-09-04T14:37:02.651986Z",
"updated_at": "2022-09-04T14:37:02.652017Z",
"structure_string": "K6 Zn2 H10\n1.0\n-3.713999 3.713999 5.583036\n3.713999 -3.713999 5.583036\n3.713999 3.713999 -5.583036\nK Zn H\n6 2 10\ndirect\n0.178863 0.678863 0.857726 K\n0.821138 0.321138 0.142275 K\n0.678863 0.821138 0.500000 K\n0.321137 0.178863 0.500000 K\n0.250000 0.250000 0.000000 K\n0.750001 0.750001 0.000000 K\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.288534 0.533485 0.500000 H\n0.033485 0.788534 0.500000 H\n0.788534 0.288534 0.755048 H\n0.533485 0.033485 0.244952 H\n0.466516 0.966516 0.755048 H\n0.966516 0.211466 0.500000 H\n0.211466 0.711467 0.244952 H\n0.500000 0.500000 0.000000 H\n0.711467 0.466516 0.500000 H\n0.000000 0.000000 0.000000 H\n",
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{
"id": "jvasp-94073",
"created_at": "2022-09-04T14:36:10.040882Z",
"updated_at": "2022-09-04T14:36:10.040906Z",
"structure_string": "K1 Mg6 V1\n1.0\n6.534310 0.000333 0.000000\n-3.266868 5.659044 0.000000\n0.000000 0.000000 5.233848\nK Mg V\n1 6 1\ndirect\n0.416681 0.083319 0.750000 K\n0.066454 0.908211 0.250000 Mg\n0.591788 0.433544 0.250000 Mg\n0.591805 0.908193 0.250000 Mg\n0.398564 0.574276 0.750000 Mg\n0.925723 0.101435 0.750000 Mg\n0.925659 0.574340 0.750000 Mg\n0.083322 0.416677 0.250000 V\n",
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{
"id": "jvasp-49217",
"created_at": "2022-09-04T14:38:08.859889Z",
"updated_at": "2022-09-04T14:38:08.859909Z",
"structure_string": "Na6 B6 S12\n1.0\n8.342203 -0.051148 -3.516430\n-5.282836 6.456517 -3.516430\n-0.024429 -0.051148 9.053013\nNa B S\n6 6 12\ndirect\n0.711316 0.788684 0.250000 Na\n0.211316 0.750000 0.288683 Na\n0.250000 0.711316 0.788683 Na\n0.788683 0.250000 0.711316 Na\n0.288683 0.211316 0.749999 Na\n0.749999 0.288683 0.211316 Na\n0.868172 0.750000 0.631826 B\n0.749999 0.631827 0.868172 B\n0.631826 0.868173 0.749999 B\n0.131827 0.250000 0.368173 B\n0.250000 0.368173 0.131827 B\n0.368173 0.131827 0.250000 B\n0.250000 0.126326 0.373674 S\n0.373674 0.250000 0.126326 S\n0.873673 0.626326 0.749999 S\n0.749999 0.873674 0.626325 S\n0.985489 0.750000 0.514510 S\n0.514510 0.985490 0.749999 S\n0.014510 0.250000 0.485489 S\n0.250000 0.485490 0.014510 S\n0.626325 0.750000 0.873673 S\n0.126326 0.373674 0.250000 S\n0.749999 0.514510 0.985489 S\n0.485489 0.014510 0.250000 S\n",
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{
"id": "jvasp-93190",
"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-93062",
"created_at": "2022-09-04T14:36:03.853991Z",
"updated_at": "2022-09-04T14:36:03.854021Z",
"structure_string": "Na1 Mg6 Cr1\n1.0\n6.340252 -0.111555 0.000000\n-3.266736 5.658152 0.000000\n0.000000 0.000000 5.103206\nNa Mg Cr\n1 6 1\ndirect\n0.176472 0.338236 0.250000 Na\n0.672156 0.335353 0.250000 Mg\n0.672156 0.836801 0.250000 Mg\n0.324108 0.148953 0.750001 Mg\n0.324107 0.675155 0.750001 Mg\n0.824498 0.162248 0.750001 Mg\n0.834573 0.667286 0.750001 Mg\n0.171924 0.835962 0.250000 Cr\n",
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{
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"created_at": "2022-09-04T14:35:50.786241Z",
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"structure_string": "K1 Ba1 Mg6\n1.0\n7.434916 0.251487 0.000000\n-3.499663 6.564567 0.000000\n0.000000 0.000000 5.325336\nK Ba Mg\n1 1 6\ndirect\n0.098134 0.401866 0.250000 K\n0.402574 0.097426 0.750001 Ba\n0.030096 0.874115 0.250000 Mg\n0.625886 0.469905 0.250000 Mg\n0.597609 0.902393 0.250000 Mg\n0.476001 0.629243 0.750001 Mg\n0.870758 0.024000 0.750001 Mg\n0.898952 0.601050 0.750001 Mg\n",
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{
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"created_at": "2022-09-04T14:38:34.412128Z",
"updated_at": "2022-09-04T14:38:34.412157Z",
"structure_string": "K2 Ca2 Cl6\n1.0\n-6.448339 0.000000 3.253360\n-4.044873 5.983680 -0.000000\n-6.404533 0.029612 -4.676975\nK Ca Cl\n2 2 6\ndirect\n0.859242 0.859242 0.422274 K\n0.140758 0.140758 0.577725 K\n0.659058 0.659058 0.022825 Ca\n0.340940 0.340941 0.977177 Ca\n0.466812 0.702050 0.767851 Cl\n0.063283 0.466813 0.767851 Cl\n0.702051 0.063284 0.767852 Cl\n0.533187 0.297949 0.232149 Cl\n0.297949 0.936715 0.232148 Cl\n0.936715 0.533187 0.232148 Cl\n",
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{
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"created_at": "2022-09-04T14:38:51.168754Z",
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"structure_string": "H2 Cl2\n1.0\n2.521552 0.000000 0.000000\n-0.000000 2.521552 -0.000000\n-0.000000 0.000000 9.419366\nH Cl\n2 2\ndirect\n0.000000 0.000000 0.001153 H\n0.500000 0.500000 -0.001153 H\n0.000000 0.000000 0.324497 Cl\n0.500000 0.500000 0.675505 Cl\n",
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}