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{
"id": "jvasp-10251",
"created_at": "2022-09-04T14:38:10.951033Z",
"updated_at": "2022-09-04T14:38:10.951065Z",
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{
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"structure_string": "Mn8 O12 F4\n1.0\n-4.508995 0.102882 0.000000\n-0.204079 9.089728 -2.946204\n0.000000 0.000000 -5.892410\nMn O F\n8 12 4\ndirect\n0.472556 0.235799 0.632100 Mn\n0.527443 0.264200 0.117900 Mn\n0.500000 0.750000 0.374999 Mn\n0.500000 0.750000 0.874999 Mn\n0.001087 -0.000350 0.494279 Mn\n0.998912 0.500350 0.743929 Mn\n0.001087 -0.000350 0.006071 Mn\n0.998912 0.500350 0.255720 Mn\n0.192656 0.089642 0.705180 O\n0.192821 0.594109 0.452946 O\n0.300684 0.345013 0.328154 O\n0.304941 0.845014 0.078397 O\n0.304941 0.845014 0.576587 O\n0.300684 0.345013 0.826833 O\n0.699315 0.154987 0.421846 O\n0.695059 0.654986 0.671601 O\n0.699315 0.154987 0.923167 O\n0.807179 0.905891 0.297053 O\n0.807343 0.410358 0.044820 O\n0.695059 0.654986 0.173411 O\n0.211289 0.603103 0.948447 F\n0.775792 0.391860 0.554069 F\n0.788711 0.896897 0.801552 F\n0.224207 0.108140 0.195931 F\n",
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{
"id": "jvasp-4720",
"created_at": "2022-09-04T14:38:06.814091Z",
"updated_at": "2022-09-04T14:38:06.814126Z",
"structure_string": "Pr1 Al2 Ni3\n1.0\n2.685778 -4.651902 0.000000\n2.685778 4.651902 0.000000\n0.000000 0.000000 3.789368\nPr Al Ni\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.333334 0.666667 0.000000 Al\n0.666667 0.333334 0.000000 Al\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n",
"nsites": 6,
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{
"id": "jvasp-51673",
"created_at": "2022-09-04T14:38:11.115971Z",
"updated_at": "2022-09-04T14:38:11.115997Z",
"structure_string": "Sr2 H4 O6\n1.0\n0.000000 5.315771 -0.001013\n3.728914 0.000000 0.000000\n0.000000 -0.001279 -6.978332\nSr H O\n2 4 6\ndirect\n0.461261 0.000000 0.320706 Sr\n0.538739 0.000000 0.820708 Sr\n0.978023 0.213215 0.126726 H\n0.978023 0.786784 0.126726 H\n0.021980 0.786780 0.626731 H\n0.021980 0.213218 0.626731 H\n0.862654 0.000000 0.101969 O\n0.137350 0.000000 0.601975 O\n0.186220 0.499999 0.197560 O\n0.813775 0.499999 0.697553 O\n0.590662 0.499999 0.562609 O\n0.409326 0.499999 0.062609 O\n",
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"volume": 138.32487090784412,
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"spacegroup": 26
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{
"id": "jvasp-109202",
"created_at": "2022-09-04T14:38:06.830667Z",
"updated_at": "2022-09-04T14:38:06.830703Z",
"structure_string": "Ce2 Ni1 Ge3\n1.0\n4.246994 -0.000000 0.000000\n-2.123497 3.678005 0.000000\n0.000000 0.000000 7.986099\nCe Ni Ge\n2 1 3\ndirect\n0.666666 0.333333 0.234647 Ce\n0.666666 0.333333 0.765353 Ce\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ge\n0.333332 0.666666 -0.000000 Ge\n0.333332 0.666666 0.500000 Ge\n",
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},
{
"id": "jvasp-11735",
"created_at": "2022-09-04T14:38:10.920889Z",
"updated_at": "2022-09-04T14:38:10.920916Z",
"structure_string": "Li4 Mn2 O6\n1.0\n4.864806 -0.000967 -0.820750\n-2.633774 4.090180 -0.820750\n-0.001993 -0.003654 5.008280\nLi Mn O\n4 2 6\ndirect\n0.338807 0.661194 0.500000 Li\n0.661195 0.338806 0.500000 Li\n0.500001 0.500000 0.000000 Li\n0.000001 0.000001 0.500000 Li\n0.167141 0.832860 0.000000 Mn\n0.832861 0.167139 0.000000 Mn\n0.068447 0.424262 0.774718 O\n0.575740 0.931554 0.225282 O\n0.779193 0.779192 0.771350 O\n0.220809 0.220809 0.228651 O\n0.424262 0.068446 0.774718 O\n0.931555 0.575739 0.225282 O\n",
"nsites": 12,
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"elements": [
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"density": 3.8947180010720968,
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"formula_full": "Li4 Mn2 O6",
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"spacegroup": 12
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{
"id": "jvasp-46536",
"created_at": "2022-09-04T14:38:14.666777Z",
"updated_at": "2022-09-04T14:38:14.666805Z",
"structure_string": "Li4 Cr2 O6\n1.0\n0.000000 5.520681 0.000000\n-4.723611 2.760341 0.000000\n0.000000 0.000000 4.912648\nLi Cr O\n4 2 6\ndirect\n0.835462 0.658994 0.521688 Li\n0.505544 0.658994 0.021687 Li\n0.494456 0.341006 0.521688 Li\n0.164538 0.341006 0.021687 Li\n0.822206 0.000000 0.019135 Cr\n0.177794 0.000000 0.519135 Cr\n0.828103 0.692640 0.920608 O\n0.479258 0.692640 0.420607 O\n0.520741 0.307360 0.920608 O\n0.171897 0.307360 0.420607 O\n0.862765 0.000000 0.393276 O\n0.137235 0.000000 0.893276 O\n",
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{
"id": "jvasp-108082",
"created_at": "2022-09-04T14:38:17.669123Z",
"updated_at": "2022-09-04T14:38:17.669156Z",
"structure_string": "Sm2 Al1 Ag3\n1.0\n4.682788 0.018003 3.447847\n2.346152 4.052703 3.447847\n0.030998 0.017952 7.160316\nSm Al Ag\n2 1 3\ndirect\n0.461013 0.461012 0.294672 Sm\n0.542046 0.542044 0.707057 Sm\n0.829640 0.829638 0.115718 Al\n0.150074 0.150073 0.888983 Ag\n0.177272 0.177272 0.281530 Ag\n0.839957 0.839954 0.712046 Ag\n",
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{
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"created_at": "2022-09-04T14:38:04.181539Z",
"updated_at": "2022-09-04T14:38:04.181562Z",
"structure_string": "Al1 Si3 W2\n1.0\n3.244546 0.000000 0.000000\n0.000000 3.244546 0.000000\n-0.000000 0.000000 8.097303\nAl Si W\n1 3 2\ndirect\n0.500001 0.500001 0.168038 Al\n0.000000 0.000000 0.665961 Si\n0.000000 0.000000 0.335949 Si\n0.500001 0.500001 0.837030 Si\n0.000000 0.000000 0.988519 W\n0.500001 0.500001 0.504503 W\n",
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{
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"created_at": "2022-09-04T14:38:10.749855Z",
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"structure_string": "K8 Cu4 Br12\n1.0\n4.300463 0.000000 0.000000\n0.000000 12.518902 0.000000\n0.000000 0.000000 13.169985\nK Cu Br\n8 4 12\ndirect\n0.250000 0.177680 0.514759 K\n0.250000 0.513724 0.321975 K\n0.749999 0.822320 0.485240 K\n0.749999 0.486276 0.678024 K\n0.749999 0.986275 0.821975 K\n0.250000 0.677679 0.985240 K\n0.749999 0.322320 0.014760 K\n0.250000 0.013724 0.178025 K\n0.250000 0.255280 0.802458 Cu\n0.250000 0.755280 0.697542 Cu\n0.749999 0.744720 0.197542 Cu\n0.749999 0.244720 0.302458 Cu\n0.749999 0.370394 0.447516 Br\n0.749999 0.722322 0.793547 Br\n0.749999 0.222322 0.706452 Br\n0.250000 0.443120 0.862732 Br\n0.250000 0.943120 0.637267 Br\n0.250000 0.777678 0.293547 Br\n0.250000 0.277678 0.206452 Br\n0.250000 0.629606 0.552484 Br\n0.250000 0.129606 0.947515 Br\n0.749999 0.056880 0.362732 Br\n0.749999 0.870394 0.052484 Br\n0.749999 0.556880 0.137268 Br\n",
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{
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"created_at": "2022-09-04T14:38:04.554503Z",
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"structure_string": "Zr3 P1 O2\n1.0\n1.715912 -2.972048 -0.000000\n1.715912 2.972048 0.000000\n0.000000 0.000000 8.389209\nZr P O\n3 1 2\ndirect\n0.666666 0.333332 0.701776 Zr\n0.333332 0.666666 0.298224 Zr\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 P\n0.666666 0.333332 0.142153 O\n0.333332 0.666666 0.857847 O\n",
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}