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{
"id": "jvasp-34273",
"created_at": "2022-09-04T14:36:33.684821Z",
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"structure_string": "Ag2 Cl2 O4\n1.0\n3.957450 -0.143552 0.000987\n-0.182471 3.955847 0.000987\n-0.004430 -0.004474 8.445934\nAg Cl O\n2 2 4\ndirect\n0.837383 0.337384 0.423340 Ag\n0.337642 0.837643 0.576696 Ag\n0.269327 0.769328 0.153379 Cl\n0.770024 0.270026 0.846605 Cl\n-0.022857 0.477144 0.181436 O\n0.915554 0.415556 0.677355 O\n0.477804 -0.022195 0.818604 O\n0.415121 0.915122 0.322586 O\n",
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{
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"structure_string": "Sn2 S2\n1.0\n4.157505 0.031613 0.000000\n-0.024437 4.157553 0.000000\n0.000000 0.000000 5.807446\nSn S\n2 2\ndirect\n0.246518 0.746518 0.754046 Sn\n0.746518 0.246518 0.245954 Sn\n0.729480 0.229481 0.760641 S\n0.229480 0.729481 0.239359 S\n",
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{
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"structure_string": "Sn2 S2\n1.0\n4.137392 0.000363 0.000000\n-0.049667 4.137093 -0.000000\n0.000000 -0.000000 22.554865\nSn S\n2 2\ndirect\n0.752652 0.747346 0.434839 Sn\n0.252653 0.247346 0.565162 Sn\n0.213346 0.286653 0.450854 S\n0.713346 0.786652 0.549147 S\n",
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{
"id": "jvasp-29913",
"created_at": "2022-09-04T14:37:11.432631Z",
"updated_at": "2022-09-04T14:37:11.432641Z",
"structure_string": "Ga2 H6 N2 F6\n1.0\n5.522376 0.000000 0.000000\n0.000000 2.761918 4.813368\n0.000000 -2.761918 4.813368\nGa H N F\n2 6 2 6\ndirect\n0.251143 0.641546 0.141546 Ga\n0.748858 0.141546 0.641546 Ga\n0.024469 0.873133 0.373133 H\n0.975532 0.373133 0.873133 H\n0.284091 0.040812 0.237415 H\n0.715910 0.237415 0.040812 H\n0.715910 0.540813 0.737415 H\n0.284091 0.737415 0.540813 H\n0.205712 0.845678 0.345678 N\n0.794288 0.345678 0.845678 N\n0.500000 0.906196 0.906196 F\n0.500000 0.406196 0.406196 F\n0.000000 0.869147 0.869147 F\n0.000000 0.369147 0.369147 F\n0.288482 0.447673 0.947673 F\n0.711519 0.947673 0.447673 F\n",
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{
"id": "jvasp-44226",
"created_at": "2022-09-04T14:38:11.200326Z",
"updated_at": "2022-09-04T14:38:11.200346Z",
"structure_string": "V2 O2 F6\n1.0\n0.000000 4.921653 0.350057\n5.545491 0.000000 0.000000\n0.000000 -2.796767 -4.804546\nV O F\n2 2 6\ndirect\n0.000014 0.275468 0.058115 V\n0.000014 0.724532 0.558116 V\n0.000111 0.522200 0.771154 O\n0.000111 0.477800 0.271154 O\n-0.000140 0.000746 0.722351 F\n0.583951 0.252546 0.766224 F\n-0.000140 0.999254 0.222351 F\n0.416065 0.747722 0.682156 F\n0.583951 0.747454 0.266224 F\n0.416065 0.252277 0.182155 F\n",
"nsites": 10,
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{
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"created_at": "2022-09-04T14:38:53.320815Z",
"updated_at": "2022-09-04T14:38:53.320845Z",
"structure_string": "H2 Cl2\n1.0\n5.701320 -0.537705 -0.689804\n2.608462 -2.817647 -0.162640\n2.457908 1.991522 -5.237218\nH Cl\n2 2\ndirect\n-0.161818 0.189902 0.206003 H\n0.469994 0.058139 0.074580 H\n0.468336 0.248951 0.887543 Cl\n0.464010 0.752941 0.392878 Cl\n",
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{
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"created_at": "2022-09-04T14:35:44.746553Z",
"updated_at": "2022-09-04T14:35:44.746581Z",
"structure_string": "Na2 Ca8 B6 O18\n1.0\n6.486982 0.000000 -0.000000\n-3.243492 5.612888 -0.000000\n-0.000000 -0.000000 10.727816\nNa Ca B O\n2 8 6 18\ndirect\n0.228620 0.151781 0.250000 Na\n0.076839 0.848219 0.750000 Na\n0.719750 -0.000000 0.000000 Ca\n0.293979 0.700049 0.250000 Ca\n0.593930 0.299951 0.750000 Ca\n0.863694 0.571181 0.027615 Ca\n0.719750 -0.000000 0.500000 Ca\n0.863694 0.571181 0.472385 Ca\n0.292514 0.428819 0.972385 Ca\n0.292514 0.428819 0.527615 Ca\n0.607572 0.756615 0.750000 B\n0.701272 0.658833 0.250000 B\n0.042439 0.341167 0.750000 B\n0.294697 -0.000000 0.000000 B\n0.850957 0.243386 0.250000 B\n0.294697 -0.000000 0.500000 B\n0.938557 0.723784 0.250000 O\n0.663339 0.678999 0.639114 O\n0.504203 0.208108 0.528091 O\n0.576299 0.621653 0.138800 O\n0.609414 0.094781 0.250000 O\n0.296096 0.791893 0.028091 O\n0.214773 0.276217 0.750000 O\n0.984340 0.321002 0.360887 O\n0.082826 -0.000000 0.500000 O\n0.984340 0.321002 0.139113 O\n0.504203 0.208108 0.971909 O\n0.663339 0.678999 0.860887 O\n0.954646 0.378348 0.638800 O\n0.576299 0.621653 0.361200 O\n0.296096 0.791893 0.471909 O\n0.954646 0.378348 0.861200 O\n0.082826 -0.000000 0.000000 O\n0.514633 0.905219 0.750000 O\n",
"nsites": 34,
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"volume": 390.60732676341365,
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"formula_full": "Na2 Ca8 B6 O18",
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{
"id": "jvasp-86939",
"created_at": "2022-09-04T14:35:51.014795Z",
"updated_at": "2022-09-04T14:35:51.014811Z",
"structure_string": "K2 Nb2 Cu4 Se8\n1.0\n5.458454 0.000000 -1.645002\n0.000000 7.706184 0.000000\n0.000645 -0.000000 9.880778\nK Nb Cu Se\n2 2 4 8\ndirect\n0.925124 0.750000 0.364627 K\n0.560497 0.250000 0.635373 K\n0.610552 0.250000 0.221816 Nb\n0.388736 0.750000 0.778184 Nb\n0.108461 0.250000 0.217019 Cu\n0.891442 0.750000 0.782982 Cu\n0.480884 0.500000 0.000000 Cu\n0.480884 0.000000 0.000000 Cu\n0.751826 0.250000 0.005756 Se\n0.141034 0.490645 0.781665 Se\n0.535758 0.750000 0.570741 Se\n0.746071 0.750000 0.994245 Se\n0.965016 0.250000 0.429259 Se\n0.141034 0.009355 0.781665 Se\n0.359369 0.990644 0.218335 Se\n0.359369 0.509355 0.218335 Se\n",
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"formula_full": "K2 Nb2 Cu4 Se8",
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{
"id": "jvasp-2157",
"created_at": "2022-09-04T14:35:52.226503Z",
"updated_at": "2022-09-04T14:35:52.226537Z",
"structure_string": "Sb2 F6\n1.0\n4.367152 -0.020172 0.000000\n-1.730556 4.009688 0.000000\n0.000000 0.000000 7.150453\nSb F\n2 6\ndirect\n0.205662 0.790590 0.250000 Sb\n0.790589 0.205663 0.750000 Sb\n0.315356 0.380898 0.250000 F\n0.380898 0.315356 0.750000 F\n0.976715 0.588033 0.932154 F\n0.588031 0.976716 0.067845 F\n0.976715 0.588033 0.567845 F\n0.588031 0.976716 0.432155 F\n",
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{
"id": "jvasp-42242",
"created_at": "2022-09-04T14:35:54.529859Z",
"updated_at": "2022-09-04T14:35:54.529875Z",
"structure_string": "Fe4 O4 F4\n1.0\n4.642412 0.029306 0.000000\n0.029306 4.642412 0.000000\n0.000000 0.000000 6.030756\nFe O F\n4 4 4\ndirect\n0.985007 0.942445 0.000000 Fe\n0.057555 0.014993 0.500000 Fe\n0.485576 0.514424 0.250000 Fe\n0.485576 0.514424 0.750000 Fe\n0.202883 0.797117 0.250000 O\n0.202883 0.797117 0.750000 O\n0.322705 0.328374 0.500000 O\n0.671626 0.677295 0.000000 O\n0.278702 0.278731 0.000000 F\n0.721269 0.721299 0.500000 F\n0.793108 0.206893 0.250000 F\n0.793108 0.206893 0.750000 F\n",
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{
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"created_at": "2022-09-04T14:35:55.816799Z",
"updated_at": "2022-09-04T14:35:55.816820Z",
"structure_string": "Mn8 O8 F8\n1.0\n4.597414 -0.004448 -0.000000\n-0.004448 4.597414 0.000000\n-0.000000 0.000000 12.406362\nMn O F\n8 8 8\ndirect\n0.968519 0.968519 0.000000 Mn\n0.024351 0.036651 0.250000 Mn\n0.968519 0.968519 0.500000 Mn\n0.036651 0.024351 0.750000 Mn\n0.469123 0.528588 0.625011 Mn\n0.528588 0.469123 0.125011 Mn\n0.528588 0.469123 0.374989 Mn\n0.469123 0.528588 0.874989 Mn\n0.821247 0.176427 0.375202 O\n0.821247 0.176427 0.124798 O\n0.676743 0.676743 0.500000 O\n0.676743 0.676743 0.000000 O\n0.299074 0.337209 0.750000 O\n0.337209 0.299074 0.250000 O\n0.176427 0.821247 0.875202 O\n0.176427 0.821247 0.624798 O\n0.226720 0.783782 0.132358 F\n0.226720 0.783782 0.367642 F\n0.275587 0.275587 0.000000 F\n0.275587 0.275587 0.500000 F\n0.745775 0.703454 0.250000 F\n0.703454 0.745775 0.750000 F\n0.783782 0.226720 0.632358 F\n0.783782 0.226720 0.867642 F\n",
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{
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"structure_string": "K8 Sr2 Si6 O18\n1.0\n7.191958 -0.000039 0.000000\n-2.758847 6.641763 -0.000000\n0.000000 0.000000 11.064901\nK Sr Si O\n8 2 6 18\ndirect\n0.658296 0.234428 0.750000 K\n0.054465 0.945534 0.000000 K\n0.499938 0.500061 0.000000 K\n0.765572 0.341704 0.250000 K\n0.781755 0.773180 0.750000 K\n0.499938 0.500061 0.500000 K\n0.226819 0.218244 0.250000 K\n0.054465 0.945534 0.500000 K\n0.275815 0.744436 0.750000 Sr\n0.255563 0.724185 0.250000 Sr\n0.590105 0.019875 0.469341 Si\n0.189043 0.259512 0.750000 Si\n0.740488 0.810956 0.250000 Si\n0.980125 0.409895 0.969341 Si\n0.590105 0.019875 0.030659 Si\n0.980125 0.409895 0.530659 Si\n0.738004 0.261996 0.500000 O\n0.973958 0.602364 0.897148 O\n0.114054 0.446965 0.408800 O\n0.548105 0.597593 0.250000 O\n0.201987 0.041248 0.750000 O\n0.958752 0.798013 0.250000 O\n0.397636 0.026041 0.102852 O\n0.402406 0.451895 0.750000 O\n0.052326 0.269551 0.871366 O\n0.553034 0.885946 0.591200 O\n0.738004 0.261996 0.000000 O\n0.730448 0.947674 0.371366 O\n0.730448 0.947674 0.128634 O\n0.114054 0.446965 0.091200 O\n0.973958 0.602364 0.602852 O\n0.397636 0.026041 0.397148 O\n0.553034 0.885946 0.908800 O\n0.052326 0.269551 0.628634 O\n",
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]
}