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{
"id": "jvasp-92557",
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"updated_at": "2022-09-04T14:36:13.548825Z",
"structure_string": "Y1 Si2 Ir2\n1.0\n4.163717 0.000000 0.000000\n0.000000 4.163717 0.000000\n-2.081858 -2.081858 5.040673\nY Si Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.750000 0.500000 Si\n0.750000 0.250000 0.500000 Si\n0.629509 0.629509 0.259017 Ir\n0.370491 0.370491 0.740982 Ir\n",
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{
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"formula_full": "Sm1 Si3 Ir1",
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{
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"structure_string": "Zr1 B1 Rh3\n1.0\n4.137540 0.000000 0.000000\n0.000000 4.137540 -0.000000\n0.000000 0.000000 4.137540\nZr B Rh\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n",
"nsites": 5,
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"density": 9.62945347963472,
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"formula_full": "Zr1 B1 Rh3",
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{
"id": "jvasp-92560",
"created_at": "2022-09-04T14:35:49.401153Z",
"updated_at": "2022-09-04T14:35:49.401185Z",
"structure_string": "Th1 Co1 Si3\n1.0\n4.207399 0.000000 0.000000\n0.000000 4.207399 0.000000\n-2.103699 -2.103699 4.754176\nTh Co Si\n1 1 3\ndirect\n0.003496 0.003496 0.006990 Th\n0.664240 0.664240 0.328480 Co\n0.424209 0.424209 0.848418 Si\n0.761528 0.261528 0.523056 Si\n0.261528 0.761528 0.523056 Si\n",
"nsites": 5,
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"elements": [
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"density": 7.403573603645751,
"density_atomic": 0.05941106673143477,
"volume": 84.15940455340231,
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"formula_full": "Th1 Co1 Si3",
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"spacegroup": 107
},
{
"id": "jvasp-92561",
"created_at": "2022-09-04T14:35:55.368393Z",
"updated_at": "2022-09-04T14:35:55.368413Z",
"structure_string": "Th1 Si3 Ru1\n1.0\n4.273762 0.000000 -0.000000\n0.000000 4.273762 -0.000000\n-2.136882 -2.136882 4.971733\nTh Si Ru\n1 3 1\ndirect\n0.995883 0.995883 0.991765 Th\n0.418532 0.418532 0.837064 Si\n0.761852 0.261852 0.523705 Si\n0.261852 0.761852 0.523705 Si\n0.655879 0.655879 0.311758 Ru\n",
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"formula_full": "Th1 Si3 Ru1",
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{
"id": "jvasp-92562",
"created_at": "2022-09-04T14:35:58.748025Z",
"updated_at": "2022-09-04T14:35:58.748053Z",
"structure_string": "Ce1 Si2 Ir2\n1.0\n4.213071 -0.000000 -0.000000\n-0.000000 4.213071 -0.000000\n-2.106535 -2.106535 5.022101\nCe Si Ir\n1 2 2\ndirect\n0.364800 0.364800 0.729601 Ce\n0.614800 0.114800 0.229602 Si\n0.114800 0.614800 0.229602 Si\n0.995852 0.995852 0.991707 Ir\n0.733743 0.733743 0.467487 Ir\n",
"nsites": 5,
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{
"id": "jvasp-92563",
"created_at": "2022-09-04T14:36:04.154487Z",
"updated_at": "2022-09-04T14:36:04.154514Z",
"structure_string": "Tl1 H1 Pd3\n1.0\n4.126646 0.000000 0.000000\n0.000000 4.126646 0.000000\n-0.000000 0.000000 4.126646\nTl H Pd\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 H\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 5,
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},
{
"id": "jvasp-92564",
"created_at": "2022-09-04T14:36:08.631855Z",
"updated_at": "2022-09-04T14:36:08.631890Z",
"structure_string": "Lu1 Au4\n1.0\n0.000000 0.000000 4.153871\n-3.364340 3.364340 2.076936\n-3.364340 -3.364340 2.076936\nLu Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Lu\n0.601339 0.599703 0.197619 Au\n0.398663 0.400297 0.802381 Au\n0.201042 0.197619 0.400297 Au\n0.798959 0.802381 0.599703 Au\n",
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},
{
"id": "jvasp-92565",
"created_at": "2022-09-04T14:36:11.631955Z",
"updated_at": "2022-09-04T14:36:11.631970Z",
"structure_string": "Nd1 Si3 Os1\n1.0\n4.284427 0.000000 -0.000000\n0.000000 4.284427 -0.000000\n-2.142214 -2.142214 5.000799\nNd Si Os\n1 3 1\ndirect\n0.998253 0.998253 0.996503 Nd\n0.419722 0.419722 0.839443 Si\n0.760521 0.260521 0.521039 Si\n0.260521 0.760521 0.521039 Si\n0.654989 0.654989 0.309976 Os\n",
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{
"id": "jvasp-92566",
"created_at": "2022-09-04T14:36:17.542499Z",
"updated_at": "2022-09-04T14:36:17.542517Z",
"structure_string": "Sm1 Si3 Os1\n1.0\n4.253178 0.000000 -0.000000\n0.000000 4.253178 0.000000\n-2.126589 -2.126589 4.987089\nSm Si Os\n1 3 1\ndirect\n0.997891 0.997891 0.995782 Sm\n0.419372 0.419372 0.838742 Si\n0.761262 0.261262 0.522523 Si\n0.261262 0.761262 0.522523 Si\n0.654215 0.654215 0.308430 Os\n",
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{
"id": "jvasp-92567",
"created_at": "2022-09-04T14:36:20.007734Z",
"updated_at": "2022-09-04T14:36:20.007763Z",
"structure_string": "In1 Co3 N1\n1.0\n3.847554 0.000000 0.000000\n0.000000 3.847554 0.000000\n-0.000000 -0.000000 3.847554\nIn Co N\n1 3 1\ndirect\n0.000000 0.000000 0.000000 In\n0.499999 0.499999 0.000000 Co\n0.499999 0.000000 0.499999 Co\n0.000000 0.499999 0.499999 Co\n0.499999 0.499999 0.499999 N\n",
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{
"id": "jvasp-92568",
"created_at": "2022-09-04T14:35:41.696597Z",
"updated_at": "2022-09-04T14:35:41.696625Z",
"structure_string": "K1 Fe2 Te2\n1.0\n3.875471 -0.000000 -0.000000\n-0.000000 3.875471 -0.000000\n-1.937735 -1.937735 8.125409\nK Fe Te\n1 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.250001 0.750000 0.500000 Fe\n0.750000 0.250001 0.500000 Fe\n0.638956 0.638956 0.277912 Te\n0.361045 0.361045 0.722088 Te\n",
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