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{
"id": "jvasp-12519",
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"updated_at": "2022-09-04T14:37:05.636230Z",
"structure_string": "Zn2 I4 O12\n1.0\n0.000000 5.527940 0.006585\n5.022977 0.000000 0.000000\n0.000000 -0.081343 -9.491113\nZn I O\n2 4 12\ndirect\n0.232871 0.925030 0.744718 Zn\n0.767129 0.425030 0.255282 Zn\n0.261928 0.483462 0.068021 I\n0.738073 0.983462 0.931979 I\n0.266347 -0.005240 0.400482 I\n0.733653 0.494760 0.599518 I\n0.463406 0.649121 0.198674 O\n0.536594 0.149121 0.801326 O\n0.346824 0.701154 0.919707 O\n0.653177 0.201154 0.080293 O\n0.094007 0.201415 0.273238 O\n0.855011 0.637238 0.435029 O\n0.144989 0.137238 0.564972 O\n0.016375 0.161919 0.879770 O\n0.553582 0.182904 0.398313 O\n0.446419 0.682905 0.601687 O\n0.905993 0.701416 0.726762 O\n0.983626 0.661919 0.120230 O\n",
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"structure_string": "Th2 C2 N2\n1.0\n3.959241 0.000000 0.000000\n-1.979620 3.513332 -0.348477\n0.000000 0.001928 7.311560\nTh C N\n2 2 2\ndirect\n0.816020 0.632042 0.797444 Th\n0.183980 0.367958 0.202555 Th\n0.543585 0.087170 0.429055 C\n0.456415 0.912830 0.570945 C\n0.151289 0.302578 0.874510 N\n0.848711 0.697422 0.125489 N\n",
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{
"id": "jvasp-8274",
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"updated_at": "2022-09-04T14:37:04.478281Z",
"structure_string": "Mg1 Cr2 N2\n1.0\n3.694593 0.000000 0.000000\n0.000000 3.694531 0.000000\n0.000000 0.000000 5.403786\nMg Cr N\n1 2 2\ndirect\n0.000000 0.000000 0.249998 Mg\n0.500000 0.500000 0.998088 Cr\n0.500000 0.500000 0.501915 Cr\n0.500000 0.000000 0.474465 N\n0.000000 0.500000 0.025536 N\n",
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{
"id": "jvasp-55234",
"created_at": "2022-09-04T14:37:04.478978Z",
"updated_at": "2022-09-04T14:37:04.479012Z",
"structure_string": "Ba8 Cd4 S12\n1.0\n4.373406 0.000000 0.000000\n-0.000000 8.994090 0.000000\n0.000000 0.000000 17.378029\nBa Cd S\n8 4 12\ndirect\n0.250000 0.263544 0.541818 Ba\n0.750001 0.236456 0.041818 Ba\n0.250000 0.763544 0.958182 Ba\n0.750001 0.736456 0.458182 Ba\n0.250000 0.922292 0.214812 Ba\n0.750001 0.077708 0.785188 Ba\n0.250000 0.422292 0.285188 Ba\n0.750001 0.577708 0.714812 Ba\n0.250000 0.377731 0.868525 Cd\n0.250000 0.877731 0.631475 Cd\n0.750001 0.622269 0.131475 Cd\n0.750001 0.122269 0.368525 Cd\n0.250000 0.314529 0.724318 S\n0.250000 0.484299 0.095953 S\n0.750001 0.515701 0.904047 S\n0.250000 0.984299 0.404047 S\n0.750001 0.015701 0.595953 S\n0.250000 0.618747 0.572204 S\n0.750001 0.381253 0.427796 S\n0.250000 0.118747 0.927796 S\n0.750001 0.685471 0.275682 S\n0.250000 0.814529 0.775682 S\n0.750001 0.185471 0.224318 S\n0.750001 0.881253 0.072204 S\n",
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{
"id": "jvasp-11387",
"created_at": "2022-09-04T14:37:04.480508Z",
"updated_at": "2022-09-04T14:37:04.480525Z",
"structure_string": "Li4 Ge2 O6\n1.0\n4.906824 -0.000000 0.000000\n-0.000000 4.753745 -2.704512\n0.000000 0.000327 5.530681\nLi Ge O\n4 2 6\ndirect\n0.012566 0.834353 0.350731 Li\n0.512566 0.165646 0.649269 Li\n0.512566 0.516377 0.350731 Li\n0.012566 0.483623 0.649269 Li\n0.502782 0.819027 -0.000000 Ge\n0.002782 0.180972 -0.000000 Ge\n0.876350 0.861767 -0.000000 O\n0.406917 0.524242 0.690065 O\n0.406917 0.834176 0.309935 O\n0.376350 0.138232 -0.000000 O\n0.906917 0.165823 0.690065 O\n0.906917 0.475758 0.309935 O\n",
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{
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"updated_at": "2022-09-04T14:37:04.484474Z",
"structure_string": "Na2 Ga2 Te4\n1.0\n6.512126 0.003723 -1.751135\n-3.826434 5.269364 -1.751135\n-0.001896 -0.003723 6.743459\nNa Ga Te\n2 2 4\ndirect\n0.250000 0.250000 0.000000 Na\n0.750000 0.749999 0.000001 Na\n0.750000 0.250000 0.500001 Ga\n0.250000 0.750000 0.500001 Ga\n0.677386 0.177386 0.854773 Te\n0.177386 0.322614 0.500000 Te\n0.822614 0.677386 0.500001 Te\n0.322614 0.822613 0.145228 Te\n",
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"formula_full": "Na2 Ga2 Te4",
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"spacegroup": 140
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{
"id": "jvasp-11002",
"created_at": "2022-09-04T14:37:04.487299Z",
"updated_at": "2022-09-04T14:37:04.487334Z",
"structure_string": "Tb2 Nb2 O8\n1.0\n4.809181 0.013055 -1.832949\n-1.217897 4.806704 -2.021488\n-0.023860 0.001304 6.593087\nTb Nb O\n2 2 8\ndirect\n0.878648 0.128647 0.757297 Tb\n0.121351 0.871351 0.242702 Tb\n0.356811 0.606810 0.713624 Nb\n0.643187 0.393187 0.286375 Nb\n0.289223 0.128719 0.077366 O\n0.788142 0.448645 0.077365 O\n0.710776 0.871279 0.922634 O\n0.211856 0.551352 0.922635 O\n0.509971 0.716131 0.436720 O\n0.926748 0.220587 0.436720 O\n0.490028 0.283866 0.563279 O\n0.073250 0.779410 0.563279 O\n",
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"formula_full": "Tb2 Nb2 O8",
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"formula_anonymous": "ABC4",
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"spacegroup": 15
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{
"id": "jvasp-79884",
"created_at": "2022-09-04T14:37:04.492629Z",
"updated_at": "2022-09-04T14:37:04.492649Z",
"structure_string": "Pm2 Ni1 Rh1\n1.0\n0.000163 3.483193 3.483106\n3.483220 0.000158 3.483110\n3.483229 3.483206 0.000149\nPm Ni Rh\n2 1 1\ndirect\n0.999996 0.999993 0.999993 Pm\n0.500007 0.500005 0.500007 Pm\n0.250001 0.250000 0.250000 Ni\n0.749999 0.750001 0.749999 Rh\n",
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{
"id": "jvasp-8103",
"created_at": "2022-09-04T14:37:04.492910Z",
"updated_at": "2022-09-04T14:37:04.492935Z",
"structure_string": "Cr1 Cu1 S2\n1.0\n3.348818 -0.022922 5.537369\n1.526785 2.980610 5.537369\n-0.037785 -0.022922 6.471136\nCr Cu S\n1 1 2\ndirect\n0.999443 0.999441 0.999437 Cr\n0.146460 0.146460 0.146460 Cu\n0.744310 0.744308 0.744306 S\n0.266093 0.266093 0.266092 S\n",
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{
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"updated_at": "2022-09-04T14:37:04.597438Z",
"structure_string": "Fe2 H2 O4\n1.0\n2.384005 -0.000000 -0.587419\n0.000000 3.847650 0.000000\n0.594500 0.000000 7.544124\nFe H O\n2 2 4\ndirect\n0.689659 0.813441 0.379314 Fe\n0.310345 0.313440 0.620686 Fe\n0.557812 0.813579 0.115620 H\n0.442192 0.313581 0.884379 H\n0.715447 0.313434 0.430888 O\n0.284557 0.813435 0.569111 O\n0.083397 0.813547 0.166796 O\n0.916605 0.313546 0.833203 O\n",
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{
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"created_at": "2022-09-04T14:37:04.506466Z",
"updated_at": "2022-09-04T14:37:04.506501Z",
"structure_string": "H8 C8 O8\n1.0\n7.055128 0.000000 0.000000\n0.000000 5.809733 0.000000\n0.000000 -0.000000 5.129838\nH C O\n8 8 8\ndirect\n0.817868 0.903422 0.474475 H\n0.682132 0.096578 0.974475 H\n0.182132 0.403422 0.525525 H\n0.317868 0.596577 0.025525 H\n0.182132 0.096578 0.525525 H\n0.317868 0.903422 0.025525 H\n0.817868 0.596577 0.474475 H\n0.682132 0.403422 0.974475 H\n0.975755 0.750000 0.162004 C\n0.311383 0.750000 0.149665 C\n0.524246 0.250000 0.662004 C\n0.188618 0.250000 0.649665 C\n0.024245 0.250000 0.837997 C\n0.688618 0.250000 0.850335 C\n0.475755 0.750000 0.337996 C\n0.811383 0.750000 0.350335 C\n0.638888 0.750000 0.198466 O\n0.467298 0.750000 0.575185 O\n0.861112 0.250000 0.698467 O\n0.032702 0.250000 0.075185 O\n0.361112 0.250000 0.801534 O\n0.532702 0.250000 0.424816 O\n0.138888 0.750000 0.301534 O\n0.967299 0.750000 0.924816 O\n",
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{
"id": "jvasp-101519",
"created_at": "2022-09-04T14:37:04.507868Z",
"updated_at": "2022-09-04T14:37:04.507898Z",
"structure_string": "Rb2 In2 I6\n1.0\n7.444973 0.000000 4.298357\n2.481658 7.019188 4.298357\n-0.000000 -0.000000 8.596714\nRb In I\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.750044 0.249956 0.249956 I\n0.249955 0.249956 0.750044 I\n0.249956 0.750045 0.750044 I\n0.249956 0.750045 0.249956 I\n0.750044 0.249956 0.750045 I\n0.750044 0.750045 0.249956 I\n",
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]
}