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{
"id": "jvasp-9956",
"created_at": "2022-09-04T14:37:18.652796Z",
"updated_at": "2022-09-04T14:37:18.652812Z",
"structure_string": "Mg2 Cr4 O8\n1.0\n2.891587 -0.000000 0.000000\n-1.445793 4.768905 -0.000000\n0.000000 0.000000 9.708463\nMg Cr O\n2 4 8\ndirect\n0.388165 0.776328 0.750000 Mg\n0.611836 0.223671 0.250000 Mg\n0.866591 0.733180 0.072534 Cr\n0.133411 0.266819 0.927465 Cr\n0.866591 0.733180 0.427465 Cr\n0.133411 0.266819 0.572534 Cr\n0.230542 0.461083 0.386412 O\n0.769460 0.538916 0.613588 O\n0.769460 0.538916 0.886412 O\n0.230542 0.461083 0.113588 O\n0.962864 0.925726 0.250000 O\n0.037138 0.074273 0.750000 O\n0.500001 0.000000 0.000000 O\n0.500001 0.000000 0.500000 O\n",
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{
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"structure_string": "Lu2 Al4 Ni2\n1.0\n4.045543 0.000000 0.000000\n-2.022771 4.914957 0.000000\n0.000000 -0.000000 6.857643\nLu Al Ni\n2 4 2\ndirect\n0.436796 0.873592 0.250000 Lu\n0.563204 0.126408 0.750000 Lu\n0.150859 0.301719 0.052954 Al\n0.849141 0.698282 0.947046 Al\n0.849141 0.698282 0.552953 Al\n0.150859 0.301719 0.447046 Al\n0.714831 0.429663 0.250000 Ni\n0.285169 0.570338 0.750000 Ni\n",
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{
"id": "jvasp-9958",
"created_at": "2022-09-04T14:37:18.780283Z",
"updated_at": "2022-09-04T14:37:18.780307Z",
"structure_string": "Mg2 Co4 O8\n1.0\n2.833198 0.000000 0.000000\n-1.416599 4.617524 -0.000000\n0.000000 -0.000000 9.362190\nMg Co O\n2 4 8\ndirect\n0.390716 0.781433 0.750000 Mg\n0.609284 0.218566 0.250000 Mg\n0.863959 0.727917 0.071075 Co\n0.136041 0.272082 0.928925 Co\n0.863959 0.727917 0.428925 Co\n0.136041 0.272082 0.571075 Co\n0.230865 0.461732 0.389089 O\n0.769135 0.538267 0.610911 O\n0.769135 0.538267 0.889089 O\n0.230865 0.461732 0.110911 O\n0.957365 0.914730 0.250000 O\n0.042635 0.085269 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 14,
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"formula_full": "Mg2 Co4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 63
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{
"id": "jvasp-85266",
"created_at": "2022-09-04T14:37:18.808450Z",
"updated_at": "2022-09-04T14:37:18.808475Z",
"structure_string": "Cu6 Se6\n1.0\n3.971025 -0.000000 0.000000\n-1.985513 3.545002 -0.000000\n-0.000000 -0.000000 17.287433\nCu Se\n6 6\ndirect\n0.650957 0.301912 0.111164 Cu\n0.349045 0.698088 0.888836 Cu\n0.349045 0.698088 0.611164 Cu\n0.650957 0.301912 0.388836 Cu\n0.574407 0.148813 0.750000 Cu\n0.425594 0.851186 0.250000 Cu\n0.247765 0.495529 0.750000 Se\n0.752237 0.504471 0.250000 Se\n0.016080 0.032162 0.570183 Se\n0.983921 0.967838 0.070184 Se\n0.016080 0.032162 0.929816 Se\n0.983921 0.967838 0.429816 Se\n",
"nsites": 12,
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"volume": 243.3602347868419,
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"formula_full": "Cu6 Se6",
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{
"id": "jvasp-11604",
"created_at": "2022-09-04T14:37:18.825438Z",
"updated_at": "2022-09-04T14:37:18.825461Z",
"structure_string": "Mn2 Al2 F10\n1.0\n3.617514 0.000000 0.000000\n-1.808758 4.974750 0.000000\n0.000000 0.000000 9.585113\nMn Al F\n2 2 10\ndirect\n0.499999 -0.000000 0.500000 Mn\n0.499999 -0.000000 0.000000 Mn\n0.794269 0.588540 0.250000 Al\n0.205730 0.411460 0.750000 Al\n0.305522 0.611045 0.250000 F\n0.694476 0.388955 0.750000 F\n0.072414 0.144829 0.615116 F\n0.927584 0.855171 0.384884 F\n0.330870 0.661742 0.884331 F\n0.669128 0.338258 0.115668 F\n0.669128 0.338258 0.384332 F\n0.330870 0.661742 0.615668 F\n0.072414 0.144829 0.884884 F\n0.927584 0.855171 0.115116 F\n",
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{
"id": "jvasp-79453",
"created_at": "2022-09-04T14:37:18.895239Z",
"updated_at": "2022-09-04T14:37:18.895268Z",
"structure_string": "Ho2 Au2\n1.0\n-3.711726 0.000000 0.000000\n0.000000 0.000000 -4.615301\n1.855863 -5.442991 0.000000\nHo Au\n2 2\ndirect\n0.861647 0.750000 0.723294 Ho\n0.138354 0.250000 0.276706 Ho\n0.590925 0.750000 0.181847 Au\n0.409077 0.250000 0.818153 Au\n",
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"elements": [
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"density": 12.889924915803702,
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"formula_full": "Ho2 Au2",
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"spacegroup": 63
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{
"id": "jvasp-57561",
"created_at": "2022-09-04T14:37:18.841179Z",
"updated_at": "2022-09-04T14:37:18.841209Z",
"structure_string": "Y6 Br2 O8\n1.0\n4.072873 0.000000 0.000000\n-2.036437 5.875534 0.000000\n0.000000 0.000000 11.650577\nY Br O\n6 2 8\ndirect\n0.684960 0.369922 0.102635 Y\n0.315038 0.630077 0.897365 Y\n0.315038 0.630077 0.602635 Y\n0.684960 0.369922 0.397365 Y\n0.381311 0.762623 0.250000 Y\n0.618687 0.237376 0.750000 Y\n0.000000 0.000000 0.000000 Br\n0.000000 0.000000 0.500000 Br\n0.808445 0.616892 0.250000 O\n0.730323 0.460648 0.589422 O\n0.730323 0.460648 0.910578 O\n0.191553 0.383107 0.750000 O\n0.269675 0.539351 0.410578 O\n0.565931 0.131865 0.250000 O\n0.434067 0.868135 0.750000 O\n0.269675 0.539351 0.089422 O\n",
"nsites": 16,
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"formula_full": "Y6 Br2 O8",
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{
"id": "jvasp-81992",
"created_at": "2022-09-04T14:37:18.930081Z",
"updated_at": "2022-09-04T14:37:18.930113Z",
"structure_string": "Br2 Cl2\n1.0\n3.236081 2.262147 0.000000\n-3.236081 2.262147 0.000000\n0.000000 0.000000 7.816697\nBr Cl\n2 2\ndirect\n0.000541 0.000541 0.374871 Br\n0.999460 0.999460 0.874872 Br\n0.681421 0.681421 0.625129 Cl\n0.318580 0.318580 0.125129 Cl\n",
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{
"id": "jvasp-50858",
"created_at": "2022-09-04T14:37:18.981025Z",
"updated_at": "2022-09-04T14:37:18.981061Z",
"structure_string": "Ca2 Tb4 O8\n1.0\n1.662993 5.544034 0.000000\n-1.662993 5.544034 0.000000\n0.000000 -0.000000 10.978623\nTb Ca O\n4 2 8\ndirect\n0.367892 0.367892 0.425075 Tb\n0.367892 0.367892 0.074925 Tb\n0.632107 0.632107 0.574925 Tb\n0.632107 0.632107 0.925075 Tb\n0.112867 0.112867 0.250000 Ca\n0.887133 0.887133 0.750000 Ca\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.267598 0.267598 0.614174 O\n0.469015 0.469015 0.250000 O\n0.530985 0.530985 0.750000 O\n0.732401 0.732401 0.385826 O\n0.267598 0.267598 0.885826 O\n0.732401 0.732401 0.114174 O\n",
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{
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"created_at": "2022-09-04T14:37:19.011437Z",
"updated_at": "2022-09-04T14:37:19.011454Z",
"structure_string": "Ti4 Zn2 O10\n1.0\n3.664573 -0.000308 0.000000\n-1.832709 5.052091 0.000000\n0.000000 0.000000 11.728026\nTi Zn O\n4 2 10\ndirect\n0.207619 0.415273 0.599002 Ti\n0.792380 0.584727 0.400998 Ti\n0.792380 0.584727 0.099002 Ti\n0.207619 0.415273 0.900999 Ti\n0.908977 0.817727 0.750000 Zn\n0.091023 0.182273 0.250000 Zn\n0.697887 0.395783 0.250000 O\n0.302112 0.604217 0.750000 O\n0.234930 0.469877 0.073204 O\n0.765070 0.530123 0.926796 O\n0.765070 0.530123 0.573204 O\n0.234930 0.469877 0.426795 O\n0.042655 0.085473 0.629455 O\n0.957344 0.914525 0.370545 O\n0.042655 0.085473 0.870545 O\n0.957344 0.914525 0.129456 O\n",
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{
"id": "jvasp-9954",
"created_at": "2022-09-04T14:37:19.047124Z",
"updated_at": "2022-09-04T14:37:19.047145Z",
"structure_string": "Ca2 Mo4 O8\n1.0\n3.317197 -0.000000 -0.000000\n-1.658598 4.740192 0.000000\n-0.000000 0.000000 10.199501\nCa Mo O\n2 4 8\ndirect\n0.376122 0.752243 0.750000 Ca\n0.623878 0.247756 0.250000 Ca\n0.886277 0.772553 0.058989 Mo\n0.113723 0.227446 0.941011 Mo\n0.886277 0.772553 0.441011 Mo\n0.113723 0.227446 0.558989 Mo\n0.245197 0.490397 0.390981 O\n0.754803 0.509603 0.609019 O\n0.754803 0.509603 0.890981 O\n0.245197 0.490397 0.109019 O\n0.950715 0.901430 0.250000 O\n0.049285 0.098569 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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{
"id": "jvasp-10325",
"created_at": "2022-09-04T14:37:19.085276Z",
"updated_at": "2022-09-04T14:37:19.085297Z",
"structure_string": "Ca2 Ti4 O10\n1.0\n3.787768 0.000000 -0.000000\n-1.893883 5.528900 -0.000000\n-0.000000 -0.000000 11.503322\nCa Ti O\n2 4 10\ndirect\n0.903331 0.806656 0.750000 Ca\n0.096672 0.193344 0.250000 Ca\n0.205531 0.411063 0.596940 Ti\n0.794471 0.588938 0.403059 Ti\n0.794471 0.588938 0.096941 Ti\n0.205531 0.411063 0.903059 Ti\n0.713970 0.427939 0.250000 O\n0.286032 0.572062 0.750000 O\n0.238409 0.476816 0.076028 O\n0.761595 0.523185 0.923971 O\n0.761595 0.523185 0.576028 O\n0.238409 0.476816 0.423971 O\n0.054173 0.108344 0.619485 O\n0.945829 0.891655 0.380515 O\n0.054173 0.108344 0.880515 O\n0.945829 0.891655 0.119486 O\n",
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"formula_full": "Ca2 Ti4 O10",
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}
]
}