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{
"id": "jvasp-65071",
"created_at": "2022-09-04T14:35:52.475861Z",
"updated_at": "2022-09-04T14:35:52.475885Z",
"structure_string": "Na1 Be1 Br4\n1.0\n0.000000 4.541971 4.541971\n4.541971 0.000000 4.541971\n4.541971 4.541971 -0.000000\nNa Be Br\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Be\n0.123529 0.625490 0.625490 Br\n0.625490 0.625490 0.625490 Br\n0.625490 0.123529 0.625490 Br\n0.625490 0.625490 0.123529 Br\n",
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{
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"structure_string": "Ac1 Ce1 Mg2\n1.0\n4.859603 -0.000000 2.805693\n1.619868 4.581677 2.805693\n-0.000000 -0.000000 5.611386\nAc Ce Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Ce\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n",
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{
"id": "jvasp-26948",
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"structure_string": "Rb7 Au5 O2\n1.0\n5.448295 0.000060 -1.623043\n-1.303863 8.149771 -4.376550\n-0.020873 -0.049407 9.884707\nRb Au O\n7 5 2\ndirect\n0.000000 0.500000 -0.000000 Rb\n0.499996 0.788627 -0.000002 Rb\n0.500004 0.211373 0.000002 Rb\n0.168092 0.391540 0.336189 Rb\n0.831908 0.608460 0.663811 Rb\n0.831913 0.055355 0.663816 Rb\n0.168087 0.944645 0.336184 Rb\n0.000000 0.000000 0.000000 Au\n0.350959 0.350941 0.701888 Au\n0.649041 0.649059 0.298112 Au\n0.688045 0.188050 0.376106 Au\n0.311955 0.811950 0.623895 Au\n0.000011 0.216538 0.000005 O\n-0.000010 0.783462 -0.000005 O\n",
"nsites": 14,
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{
"id": "jvasp-12876",
"created_at": "2022-09-04T14:38:13.337622Z",
"updated_at": "2022-09-04T14:38:13.337652Z",
"structure_string": "Na12 Al4 Te12\n1.0\n7.718440 0.000000 0.000000\n0.000000 8.042461 -0.069999\n0.000000 -0.031937 14.092377\nNa Al Te\n12 4 12\ndirect\n0.479786 0.723265 0.777493 Na\n0.979786 0.776734 0.722507 Na\n0.520214 0.276734 0.222507 Na\n0.020214 0.223265 0.277493 Na\n0.499664 0.327368 0.604930 Na\n0.999664 0.172631 0.895070 Na\n0.500336 0.672632 0.395070 Na\n0.000336 0.827368 0.104930 Na\n0.501241 0.221096 0.901157 Na\n0.001241 0.278904 0.598843 Na\n0.498759 0.778904 0.098843 Na\n-0.001241 0.721096 0.401157 Na\n0.640421 0.083888 0.416884 Al\n0.140421 0.416112 0.083116 Al\n0.359579 0.916112 0.583116 Al\n0.859579 0.583887 0.916884 Al\n0.709296 0.918574 0.574270 Te\n0.209296 0.581425 0.925730 Te\n0.290704 0.081425 0.425730 Te\n0.790704 0.418574 0.074270 Te\n0.258894 0.077279 0.733830 Te\n0.758894 0.422720 0.766170 Te\n0.741106 0.922720 0.266170 Te\n0.241106 0.577279 0.233830 Te\n0.740579 0.885348 0.924788 Te\n0.240579 0.614652 0.575213 Te\n0.259421 0.114652 0.075213 Te\n0.759421 0.385348 0.424788 Te\n",
"nsites": 28,
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{
"id": "jvasp-69312",
"created_at": "2022-09-04T14:36:15.755736Z",
"updated_at": "2022-09-04T14:36:15.755762Z",
"structure_string": "Ba1 Hf1 Bi2\n1.0\n6.065674 0.000000 0.000000\n0.000000 6.065674 0.000000\n-0.000000 -0.000000 3.396660\nBa Hf Bi\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Hf\n0.500000 0.000000 0.000000 Bi\n0.000000 0.500000 0.000000 Bi\n",
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{
"id": "jvasp-114815",
"created_at": "2022-09-04T14:38:43.372487Z",
"updated_at": "2022-09-04T14:38:43.372508Z",
"structure_string": "Rb1 Sb1 Cl2\n1.0\n4.455630 0.000000 0.000000\n-0.000000 4.455630 -0.000000\n0.000000 0.000000 6.294960\nRb Sb Cl\n1 1 2\ndirect\n0.500000 0.500000 0.502585 Rb\n0.000000 0.000000 0.002467 Sb\n0.000000 0.000000 0.502377 Cl\n0.500000 0.500000 0.002571 Cl\n",
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{
"id": "jvasp-10545",
"created_at": "2022-09-04T14:37:13.117004Z",
"updated_at": "2022-09-04T14:37:13.117032Z",
"structure_string": "K4 Ge2 Se6\n1.0\n6.805341 -0.027681 -0.011089\n2.912238 6.790467 0.084532\n2.477297 1.305792 8.112244\nK Ge Se\n4 2 6\ndirect\n0.392323 0.796592 0.887834 K\n0.607678 0.203408 0.112166 K\n0.143365 0.465270 0.683832 K\n0.856636 0.534730 0.316167 K\n0.856868 0.059919 0.687131 Ge\n0.143133 0.940082 0.312868 Ge\n0.655298 0.391628 0.714231 Se\n0.344702 0.608374 0.285768 Se\n0.867225 0.810298 0.921002 Se\n0.132775 0.189703 0.078997 Se\n0.225840 0.044828 0.533633 Se\n0.774161 0.955172 0.466366 Se\n",
"nsites": 12,
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"elements": [
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"density": 3.4344330035410775,
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"volume": 374.91985454688756,
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"formula_full": "K4 Ge2 Se6",
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{
"id": "jvasp-106450",
"created_at": "2022-09-04T14:36:44.996751Z",
"updated_at": "2022-09-04T14:36:44.996777Z",
"structure_string": "Rb2 Ag1 Au1 Br6\n1.0\n6.596221 -0.000000 3.808330\n2.198740 6.218977 3.808330\n-0.000000 -0.000000 7.616660\nRb Ag Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n0.751524 0.248476 0.248476 Br\n0.248476 0.248476 0.751524 Br\n0.248476 0.751524 0.751524 Br\n0.248476 0.751524 0.248476 Br\n0.751524 0.248476 0.751524 Br\n0.751523 0.751524 0.248476 Br\n",
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{
"id": "jvasp-39047",
"created_at": "2022-09-04T14:38:01.930803Z",
"updated_at": "2022-09-04T14:38:01.930831Z",
"structure_string": "Sm2 Dy6\n1.0\n3.575940 -6.193709 0.000000\n3.575940 6.193709 -0.000000\n-0.000000 0.000000 5.642963\nSm Dy\n2 6\ndirect\n0.666667 0.333333 0.750000 Sm\n0.333333 0.666667 0.250000 Sm\n0.833883 0.166117 0.250000 Dy\n0.833883 0.667767 0.250000 Dy\n0.332234 0.166117 0.250000 Dy\n0.166117 0.833883 0.750000 Dy\n0.166117 0.332234 0.750000 Dy\n0.667767 0.833883 0.750000 Dy\n",
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{
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"created_at": "2022-09-04T14:37:52.229230Z",
"updated_at": "2022-09-04T14:37:52.229243Z",
"structure_string": "K8 W4 Se16\n1.0\n7.142527 0.000000 0.000000\n-0.000000 9.744263 0.000000\n0.000000 0.000000 12.570350\nK W Se\n8 4 16\ndirect\n0.750000 0.552341 0.653081 K\n0.250000 0.447659 0.346919 K\n0.750000 0.052341 0.846919 K\n0.250000 0.947659 0.153081 K\n0.750000 0.839785 0.382396 K\n0.250000 0.160215 0.617604 K\n0.750000 0.339785 0.117604 K\n0.250000 0.660215 0.882396 K\n0.250000 0.249941 0.934667 W\n0.750000 0.250059 0.434667 W\n0.750000 0.750059 0.065333 W\n0.250000 0.749940 0.565333 W\n0.750000 0.484001 0.385823 Se\n0.750000 0.721370 0.880375 Se\n0.011490 0.640327 0.135996 Se\n0.250000 0.015999 0.885823 Se\n0.488510 0.140327 0.364004 Se\n0.988511 0.859673 0.635996 Se\n0.488510 0.640327 0.135996 Se\n0.511490 0.359673 0.864004 Se\n0.511490 0.859673 0.635996 Se\n0.011490 0.140327 0.364004 Se\n0.988511 0.359673 0.864004 Se\n0.750000 0.221370 0.619625 Se\n0.250000 0.278630 0.119625 Se\n0.250000 0.778629 0.380375 Se\n0.750000 0.984000 0.114177 Se\n0.250000 0.515999 0.614177 Se\n",
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{
"id": "jvasp-31893",
"created_at": "2022-09-04T14:37:56.758470Z",
"updated_at": "2022-09-04T14:37:56.758500Z",
"structure_string": "Te4 W2 Cl12\n1.0\n6.472556 0.079764 -1.533241\n-0.279866 7.601486 -1.575242\n-0.097188 -0.084849 11.467288\nTe W Cl\n4 2 12\ndirect\n0.739331 0.850819 0.494174 Te\n0.617951 0.096407 0.673664 Te\n0.260668 0.149181 0.505826 Te\n0.382048 0.903593 0.326336 Te\n0.791175 0.329147 0.195360 W\n0.208825 0.670853 0.804640 W\n0.920998 0.046976 0.217486 Cl\n0.335342 0.390238 0.818538 Cl\n0.269962 0.630150 0.608385 Cl\n0.079001 0.953024 0.782514 Cl\n0.140353 0.711366 0.995569 Cl\n0.878251 0.551895 0.716977 Cl\n0.664657 0.609762 0.181463 Cl\n0.467129 0.202862 0.111917 Cl\n0.859647 0.288634 0.004432 Cl\n0.730038 0.369850 0.391616 Cl\n0.532871 0.797138 0.888084 Cl\n0.121748 0.448106 0.283023 Cl\n",
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"formula_full": "Te4 W2 Cl12",
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{
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"updated_at": "2022-09-04T14:36:12.270113Z",
"structure_string": "Ba1 P2 Pb1\n1.0\n4.317893 0.000000 -0.000000\n0.000000 4.317893 0.000000\n-0.000000 0.000000 6.703845\nBa P Pb\n1 2 1\ndirect\n0.500000 0.500000 0.847111 Ba\n0.000000 0.000000 0.948915 P\n0.500000 0.500000 0.361941 P\n0.000000 0.000000 0.342034 Pb\n",
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"formula_full": "Ba1 P2 Pb1",
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}
]
}