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{
"id": "jvasp-66580",
"created_at": "2022-09-04T14:35:58.705146Z",
"updated_at": "2022-09-04T14:35:58.705165Z",
"structure_string": "Ba1 Hg1 Br1\n1.0\n-0.000000 3.927508 3.927508\n3.927508 -0.000000 3.927508\n3.927508 3.927508 0.000000\nBa Hg Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Br\n",
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{
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"structure_string": "Rb4 Ag2 Au6 I16\n1.0\n7.589619 -0.000000 0.000000\n-3.794810 6.512498 -1.338593\n0.000000 -0.198778 20.985864\nRb Ag Au I\n4 2 6 16\ndirect\n0.734929 0.414380 0.593352 Rb\n0.679451 0.414380 0.093352 Rb\n0.265071 0.585620 0.406648 Rb\n0.320549 0.585620 0.906648 Rb\n0.974411 -0.000000 0.250000 Ag\n0.025589 -0.000000 0.750000 Ag\n-0.000000 -0.000000 0.500000 Au\n0.593973 0.194110 0.302001 Au\n0.406028 0.805890 0.697998 Au\n0.399863 0.805890 0.197999 Au\n0.600137 0.194110 0.802001 Au\n0.000000 0.000000 0.000000 Au\n0.582783 0.644470 0.251598 I\n0.333321 0.098605 0.934987 I\n0.195578 0.942928 0.143089 I\n0.765284 0.098605 0.434987 I\n0.230918 0.395080 0.565824 I\n0.666679 0.901395 0.065013 I\n0.835839 0.604920 0.934176 I\n0.769082 0.604920 0.434176 I\n0.747350 0.942928 0.643089 I\n0.164161 0.395080 0.065824 I\n0.252650 0.057072 0.356911 I\n0.417217 0.355530 0.748402 I\n0.061687 0.644469 0.751598 I\n0.938313 0.355530 0.248402 I\n0.234716 0.901395 0.565012 I\n0.804422 0.057072 0.856911 I\n",
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{
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"updated_at": "2022-09-04T14:35:58.817423Z",
"structure_string": "Ca1 Te1\n1.0\n3.889732 -0.000000 2.245738\n1.296578 3.667274 2.245738\n-0.000000 -0.000000 4.491475\nCa Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.499999 0.500000 Te\n",
"nsites": 2,
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"volume": 64.06960195897041,
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"spacegroup": 225
},
{
"id": "jvasp-91697",
"created_at": "2022-09-04T14:36:01.856881Z",
"updated_at": "2022-09-04T14:36:01.856908Z",
"structure_string": "Ba2 Zn2 As2 F2\n1.0\n4.277216 0.000000 -0.000000\n-0.000000 4.277216 -0.000000\n0.000000 -0.000000 9.549576\nBa Zn As F\n2 2 2 2\ndirect\n0.750001 0.750001 0.835505 Ba\n0.250000 0.250000 0.164495 Ba\n0.250000 0.750001 0.500000 Zn\n0.750001 0.250000 0.500000 Zn\n0.750001 0.750001 0.341983 As\n0.250000 0.250000 0.658018 As\n0.250000 0.750001 0.000000 F\n0.750001 0.250000 0.000000 F\n",
"nsites": 8,
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"elements": [
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"density": 5.6393075398627435,
"density_atomic": 0.04579135893342858,
"volume": 174.70545068623952,
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{
"id": "jvasp-64262",
"created_at": "2022-09-04T14:35:51.931977Z",
"updated_at": "2022-09-04T14:35:51.932004Z",
"structure_string": "Ba4 Tl1 Cu1\n1.0\n-0.000000 5.095941 5.095941\n5.095941 0.000000 5.095941\n5.095941 5.095941 -0.000000\nBa Tl Cu\n4 1 1\ndirect\n0.124424 0.625192 0.625192 Ba\n0.625192 0.625192 0.625192 Ba\n0.625192 0.124424 0.625192 Ba\n0.625192 0.625192 0.124424 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 6,
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"volume": 264.66905647597065,
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{
"id": "jvasp-69371",
"created_at": "2022-09-04T14:35:51.908518Z",
"updated_at": "2022-09-04T14:35:51.908544Z",
"structure_string": "Ba1 Ge1 Cl2\n1.0\n4.968010 0.000000 0.000000\n0.000000 4.968010 0.000000\n0.000000 0.000000 4.258825\nBa Ge Cl\n1 1 2\ndirect\n0.000000 0.000000 0.499999 Ba\n0.500000 0.500000 0.499999 Ge\n0.500000 0.000000 0.000000 Cl\n0.000000 0.500000 0.000000 Cl\n",
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{
"id": "jvasp-14661",
"created_at": "2022-09-04T14:35:48.351503Z",
"updated_at": "2022-09-04T14:35:48.351523Z",
"structure_string": "Ba1 Ga4\n1.0\n4.322387 -0.000000 -1.686109\n-0.657730 4.272051 -1.686109\n-0.035882 -0.041829 6.291350\nBa Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.622201 0.622201 0.244402 Ga\n0.750001 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.377799 0.377799 0.755598 Ga\n",
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"volume": 115.56295518337042,
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"formula_anonymous": "AB4",
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"spacegroup": 139
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{
"id": "jvasp-97680",
"created_at": "2022-09-04T14:35:55.198638Z",
"updated_at": "2022-09-04T14:35:55.198664Z",
"structure_string": "Y2 Mg4 Cu18\n1.0\n4.985271 -0.000000 -0.000000\n-2.492635 4.317371 0.000000\n0.000000 -0.000000 16.123095\nY Mg Cu\n2 4 18\ndirect\n0.333333 0.666666 0.750000 Y\n0.666666 0.333333 0.250000 Y\n0.333333 0.666666 0.533505 Mg\n0.666666 0.333333 0.466495 Mg\n0.333333 0.666666 0.966495 Mg\n0.666666 0.333333 0.033505 Mg\n0.333333 0.666666 0.250000 Cu\n0.663522 0.831761 0.377277 Cu\n0.336477 0.168239 0.877277 Cu\n0.831761 0.663523 0.622724 Cu\n0.831761 0.168239 0.877277 Cu\n0.831761 0.663523 0.877277 Cu\n0.168238 0.831761 0.122724 Cu\n0.663522 0.831761 0.122724 Cu\n0.831761 0.168239 0.622724 Cu\n0.168238 0.336477 0.122724 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.250000 Cu\n0.000000 0.000000 0.750000 Cu\n0.168238 0.336477 0.377277 Cu\n0.168238 0.831761 0.377277 Cu\n0.666666 0.333333 0.750000 Cu\n0.336477 0.168239 0.622724 Cu\n0.000000 0.000000 0.500000 Cu\n",
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"volume": 347.02163731721055,
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"formula_full": "Y2 Mg4 Cu18",
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{
"id": "jvasp-87978",
"created_at": "2022-09-04T14:35:51.711218Z",
"updated_at": "2022-09-04T14:35:51.711234Z",
"structure_string": "Hg12 Te8 I8\n1.0\n8.624853 0.000391 1.270532\n3.030121 8.075051 1.270532\n0.002744 0.001901 14.613257\nHg Te I\n12 8 8\ndirect\n0.676780 0.323219 0.750000 Hg\n0.500000 -0.000000 -0.000000 Hg\n-0.000000 0.500000 0.500000 Hg\n0.248211 0.694995 0.983815 Hg\n0.305005 0.751789 0.516185 Hg\n0.751789 0.305005 0.016185 Hg\n0.694994 0.248211 0.483815 Hg\n0.890072 0.863827 0.674547 Hg\n0.136172 0.109928 0.825453 Hg\n0.109928 0.136172 0.325453 Hg\n0.863827 0.890072 0.174547 Hg\n0.323219 0.676781 0.250000 Hg\n0.119105 0.592609 0.154989 Te\n0.141691 0.571246 0.635867 Te\n0.428753 0.858308 0.864134 Te\n0.858308 0.428754 0.364133 Te\n0.571246 0.141692 0.135867 Te\n0.592608 0.119105 0.654989 Te\n0.880894 0.407391 0.845011 Te\n0.407391 0.880894 0.345011 Te\n0.346628 0.388486 0.881751 I\n0.092889 0.129298 0.112583 I\n0.870701 0.907111 0.387417 I\n0.611513 0.653371 0.618249 I\n0.653371 0.611513 0.118249 I\n0.388486 0.346629 0.381751 I\n0.907110 0.870701 0.887417 I\n0.129298 0.092889 0.612583 I\n",
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"volume": 1017.6977879016674,
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"formula_full": "Hg12 Te8 I8",
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{
"id": "jvasp-107983",
"created_at": "2022-09-04T14:36:01.959848Z",
"updated_at": "2022-09-04T14:36:01.959871Z",
"structure_string": "Sr3 Cu1\n1.0\n5.305771 -0.000000 0.000000\n0.000000 5.305771 0.000000\n-0.000000 -0.000000 5.305771\nSr Cu\n3 1\ndirect\n0.500000 0.500000 -0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n-0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Cu\n",
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"volume": 149.36385190281183,
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},
{
"id": "jvasp-70855",
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"structure_string": "Be1 Hg4 Pd1\n1.0\n0.000000 4.037263 4.037263\n4.037263 -0.000000 4.037263\n4.037263 4.037263 0.000000\nBe Hg Pd\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125718 0.624761 0.624761 Hg\n0.624761 0.624761 0.624761 Hg\n0.624761 0.125718 0.624761 Hg\n0.624761 0.624761 0.125718 Hg\n0.250000 0.250000 0.250000 Pd\n",
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{
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}