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{
"id": "jvasp-10062",
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"updated_at": "2022-09-04T14:37:30.704818Z",
"structure_string": "Ca2 Cr4 O8\n1.0\n6.153307 -0.045731 -0.028641\n3.037049 5.351785 -0.028641\n3.040067 1.755184 4.964409\nCa Cr O\n2 4 8\ndirect\n0.125001 0.624999 0.625000 Ca\n0.625001 0.124999 0.625000 Ca\n0.994412 0.994410 0.005589 Cr\n0.255589 0.255588 0.244411 Cr\n0.625001 0.624999 0.125000 Cr\n0.625001 0.624999 0.625000 Cr\n0.394284 0.394282 0.340331 O\n0.409579 0.864554 0.362933 O\n0.394284 0.394282 0.871104 O\n0.864556 0.409578 0.362933 O\n0.385447 0.840420 0.887067 O\n0.840423 0.385444 0.887067 O\n0.855718 0.855716 0.378897 O\n0.855719 0.855716 0.909670 O\n",
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{
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"structure_string": "Pa6 Sb8\n1.0\n7.476120 0.000000 -2.643207\n-3.738060 6.474510 -2.643207\n-0.000000 -0.000000 7.929623\nPa Sb\n6 8\ndirect\n0.750000 0.875000 0.124999 Pa\n0.625000 0.375000 0.250000 Pa\n0.875000 0.125000 0.749999 Pa\n0.125000 0.750000 0.874999 Pa\n0.375000 0.250000 0.625000 Pa\n0.250000 0.625000 0.375000 Pa\n0.658219 0.658218 0.658218 Sb\n0.341781 0.500000 -0.000000 Sb\n0.500000 -0.000000 0.341781 Sb\n0.000000 0.341781 0.500000 Sb\n0.500000 0.000000 0.841781 Sb\n0.000000 0.841781 0.500000 Sb\n0.158219 0.158219 0.158218 Sb\n0.841781 0.500000 -0.000000 Sb\n",
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{
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"updated_at": "2022-09-04T14:37:30.665787Z",
"structure_string": "Li2 V3 Cu1 O8\n1.0\n5.981058 0.132468 0.093669\n3.105250 5.113515 0.093669\n3.105251 1.792817 4.789845\nLi V Cu O\n2 3 1 8\ndirect\n0.124186 0.124186 0.124186 Li\n0.875814 0.875814 0.875813 Li\n0.000000 0.500000 0.500000 V\n0.500000 0.000001 0.500000 V\n0.500000 0.500000 0.000000 V\n0.500000 0.500000 0.500000 Cu\n0.260034 0.260033 0.260033 O\n0.250048 0.250048 0.714150 O\n0.250048 0.714150 0.250047 O\n0.714150 0.250048 0.250047 O\n0.285850 0.749953 0.749952 O\n0.749953 0.285850 0.749952 O\n0.749953 0.749952 0.285850 O\n0.739967 0.739967 0.739966 O\n",
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"density_atomic": 0.09818244587857311,
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{
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"created_at": "2022-09-04T14:37:27.648397Z",
"updated_at": "2022-09-04T14:37:27.648420Z",
"structure_string": "Sm2 Dy4 S8\n1.0\n7.285905 0.108107 -0.187247\n-2.326711 6.905253 0.187247\n-2.632484 -3.398573 5.886501\nSm Dy S\n2 4 8\ndirect\n0.125001 0.750000 0.875000 Sm\n0.375000 0.250000 0.625000 Sm\n0.250000 0.662898 0.412898 Dy\n0.750000 0.837102 0.087102 Dy\n0.587102 0.337102 0.250000 Dy\n0.912898 0.162898 0.749999 Dy\n0.992572 0.864037 0.499704 S\n-0.000295 0.364037 0.492573 S\n0.128536 0.135963 0.135668 S\n0.371464 0.507132 0.007427 S\n0.635668 0.635963 0.628536 S\n0.507427 0.007132 0.871464 S\n0.500296 0.992868 0.364332 S\n0.864332 0.492868 0.000295 S\n",
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{
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"created_at": "2022-09-04T14:37:30.636093Z",
"updated_at": "2022-09-04T14:37:30.636103Z",
"structure_string": "Al12 Re2\n1.0\n5.068797 0.002847 0.000000\n-0.704718 5.019570 -0.000000\n-0.000000 -0.000000 9.112579\nAl Re\n12 2\ndirect\n0.324484 0.675516 0.000000 Al\n0.675516 0.324485 0.500000 Al\n0.675516 0.324485 0.000000 Al\n0.324484 0.675516 0.500000 Al\n0.128725 0.128725 0.601480 Al\n0.871275 0.871276 0.101480 Al\n0.128725 0.128725 0.898520 Al\n0.871275 0.871276 0.398520 Al\n0.390830 0.031069 0.250000 Al\n0.609170 0.968932 0.750000 Al\n0.031069 0.390830 0.250000 Al\n0.968932 0.609171 0.750000 Al\n0.546436 0.546436 0.250000 Re\n0.453564 0.453564 0.750000 Re\n",
"nsites": 14,
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{
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"created_at": "2022-09-04T14:37:17.452831Z",
"updated_at": "2022-09-04T14:37:17.452854Z",
"structure_string": "Mg2 V4 O8\n1.0\n2.824079 0.000000 0.000000\n-1.412040 4.813025 -0.000000\n0.000000 -0.000000 9.871465\nMg V O\n2 4 8\ndirect\n0.382432 0.764865 0.750000 Mg\n0.617568 0.235136 0.250000 Mg\n0.869332 0.738664 0.072532 V\n0.130669 0.261337 0.927469 V\n0.869332 0.738664 0.427469 V\n0.130669 0.261337 0.572532 V\n0.225165 0.450331 0.383443 O\n0.774835 0.549670 0.616558 O\n0.774835 0.549670 0.883443 O\n0.225165 0.450331 0.116557 O\n0.961536 0.923073 0.250000 O\n0.038465 0.076928 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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{
"id": "jvasp-53054",
"created_at": "2022-09-04T14:37:30.587140Z",
"updated_at": "2022-09-04T14:37:30.587161Z",
"structure_string": "Ca4 Si2 O8\n1.0\n6.903807 0.993641 0.310235\n-2.591386 4.488412 -0.620472\n0.378986 -0.656422 5.902267\nCa Si O\n4 2 8\ndirect\n0.870194 0.889826 0.141853 Ca\n0.548423 0.768613 0.567989 Ca\n0.451577 0.220188 0.067988 Ca\n0.129806 0.019632 0.641853 Ca\n0.254418 0.632369 0.065462 Si\n0.745582 0.377949 0.565462 Si\n0.161647 0.845549 0.253062 O\n0.138458 0.286772 0.026487 O\n0.491604 0.711821 0.164452 O\n0.283658 0.739253 0.820700 O\n0.508396 0.220216 0.664452 O\n0.838353 0.683902 0.753063 O\n0.716343 0.455594 0.320700 O\n0.861542 0.148314 0.526488 O\n",
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{
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"created_at": "2022-09-04T14:37:09.219949Z",
"updated_at": "2022-09-04T14:37:09.219972Z",
"structure_string": "Rb6 Sb2 O6\n1.0\n3.938156 5.459462 0.779258\n-3.938156 5.459462 -0.779258\n-0.236216 0.000000 7.684903\nRb Sb O\n6 2 6\ndirect\n0.316104 0.683896 0.648789 Rb\n0.807628 0.807628 0.500000 Rb\n0.192371 0.192372 0.500000 Rb\n0.208242 0.208242 0.000000 Rb\n0.791757 0.791757 -0.000000 Rb\n0.683896 0.316104 0.351211 Rb\n0.280998 0.719002 0.165210 Sb\n0.719001 0.280998 0.834790 Sb\n0.966479 0.033520 0.760284 O\n0.212710 0.511298 0.301951 O\n0.488702 0.787289 0.301951 O\n0.511297 0.212711 0.698049 O\n0.787289 0.488703 0.698049 O\n0.033520 0.966480 0.239716 O\n",
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{
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"updated_at": "2022-09-04T14:37:30.556903Z",
"structure_string": "Nb6 Te6 As2\n1.0\n5.250471 -9.094083 0.000000\n5.250471 9.094083 0.000000\n0.000000 0.000000 3.614554\nNb Te As\n6 6 2\ndirect\n0.495993 0.874631 0.250000 Nb\n0.125368 0.621360 0.250000 Nb\n0.504007 0.125368 0.749999 Nb\n0.378640 0.504007 0.250000 Nb\n0.874631 0.378640 0.749999 Nb\n0.621360 0.495993 0.749999 Nb\n0.051462 0.328190 0.250000 Te\n0.948538 0.671810 0.749999 Te\n0.723272 0.051462 0.749999 Te\n0.671810 0.723272 0.250000 Te\n0.328190 0.276728 0.749999 Te\n0.276728 0.948538 0.250000 Te\n0.666667 0.333333 0.250000 As\n0.333333 0.666667 0.749999 As\n",
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"structure_string": "Cd2 In2 Ga2 S8\n1.0\n3.897464 0.000000 -0.000000\n-1.948732 3.375303 -0.000000\n-0.000000 -0.000000 25.214967\nCd In Ga S\n2 2 2 8\ndirect\n0.000000 -0.000000 0.242096 Cd\n0.000000 -0.000000 0.757904 Cd\n0.666666 0.333333 0.394228 In\n0.333333 0.666666 0.605772 In\n0.666666 0.333333 0.902262 Ga\n0.333333 0.666666 0.097738 Ga\n0.666666 0.333333 0.559786 S\n0.333333 0.666666 0.700943 S\n0.666666 0.333333 0.060798 S\n0.333333 0.666666 0.440214 S\n0.666666 0.333333 0.814546 S\n0.666666 0.333333 0.299057 S\n0.333333 0.666666 0.185454 S\n0.333333 0.666666 0.939202 S\n",
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{
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"structure_string": "Zn2 Sb4 O8\n1.0\n6.623773 0.249461 0.205568\n3.527926 5.611626 0.205568\n3.551746 2.050601 5.799976\nZn Sb O\n2 4 8\ndirect\n0.125000 0.625000 0.625001 Zn\n0.625000 0.125000 0.625001 Zn\n0.970590 0.970590 0.029410 Sb\n0.279410 0.279410 0.220591 Sb\n0.625000 0.625000 0.125000 Sb\n0.625000 0.625000 0.625001 Sb\n0.383493 0.383493 0.418686 O\n0.380784 0.885972 0.366624 O\n0.383493 0.383492 0.814331 O\n0.885972 0.380784 0.366624 O\n0.364029 0.869216 0.883378 O\n0.869216 0.364028 0.883378 O\n0.866507 0.866507 0.435671 O\n0.866507 0.866507 0.831316 O\n",
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{
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"created_at": "2022-09-04T14:37:30.423328Z",
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"structure_string": "Ba1 Na2 Mg1 P2 O8\n1.0\n2.679885 -4.641698 -0.000000\n2.679885 4.641698 -0.000000\n-0.000000 0.000000 6.980119\nBa Na Mg P O\n1 2 1 2 8\ndirect\n0.000000 0.000000 0.500000 Ba\n0.666668 0.333334 0.178658 Na\n0.333334 0.666668 0.821342 Na\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333334 0.740879 P\n0.333334 0.666668 0.259121 P\n0.666668 0.333334 0.520542 O\n0.333334 0.666668 0.479458 O\n0.645929 0.822966 0.179568 O\n0.177036 0.354073 0.179568 O\n0.177037 0.822965 0.179568 O\n0.354073 0.177036 0.820432 O\n0.822966 0.645929 0.820432 O\n0.822965 0.177037 0.820432 O\n",
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]
}