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{
"id": "jvasp-18400",
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"updated_at": "2022-09-04T14:38:13.808632Z",
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{
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"structure_string": "Th1 H2\n1.0\n2.750987 2.750987 0.000000\n2.750987 0.000000 -2.750987\n0.000000 2.750987 -2.750987\nTh H\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.250000 0.250000 0.250000 H\n0.750001 0.750001 0.750001 H\n",
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{
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"structure_string": "Th1 Ge2 Ru2\n1.0\n4.006780 0.000017 -1.579142\n-0.622510 3.958234 -1.579200\n-0.006888 -0.008143 5.854154\nTh Ge Ru\n1 2 2\ndirect\n0.001550 0.000500 0.999824 Th\n0.370953 0.369914 0.738596 Ge\n0.632157 0.631091 0.261047 Ge\n0.751577 0.250463 0.499810 Ru\n0.251537 0.750542 0.499834 Ru\n",
"nsites": 5,
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"elements": [
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"chemical_system": "Ge-Ru-Th",
"density": 10.375040998219967,
"density_atomic": 0.05391240679579408,
"volume": 92.7430307264648,
"volume_molar": 11.17023171087552,
"formula_full": "Th1 Ge2 Ru2",
"formula_reduced": "Th(GeRu)2",
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{
"id": "jvasp-15121",
"created_at": "2022-09-04T14:36:46.037909Z",
"updated_at": "2022-09-04T14:36:46.037944Z",
"structure_string": "Th1 Ge2 Rh2\n1.0\n3.919188 -0.000000 -1.521415\n-0.590608 3.874432 -1.521415\n0.077081 0.089721 6.007213\nTh Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.621972 0.621972 0.243944 Ge\n0.378027 0.378027 0.756054 Ge\n0.750000 0.250000 0.499999 Rh\n0.250000 0.750000 0.499999 Rh\n",
"nsites": 5,
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"elements": [
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"Ge",
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"chemical_system": "Ge-Rh-Th",
"density": 10.492332788691698,
"density_atomic": 0.05417866241831661,
"volume": 92.28725436952851,
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"formula_full": "Th1 Ge2 Rh2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-8504",
"created_at": "2022-09-04T14:37:06.494298Z",
"updated_at": "2022-09-04T14:37:06.494308Z",
"structure_string": "Th1 Ge2 Pt2\n1.0\n4.147361 0.000000 -1.659185\n-0.663770 4.093899 -1.659185\n-0.063576 -0.074714 5.854124\nTh Ge Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.625928 0.625929 0.251856 Ge\n0.374071 0.374072 0.748142 Ge\n0.250000 0.750001 0.499999 Pt\n0.749999 0.250001 0.499999 Pt\n",
"nsites": 5,
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"elements": [
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"density_atomic": 0.05082943437474676,
"volume": 98.36820065981524,
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"formula_full": "Th1 Ge2 Pt2",
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{
"id": "jvasp-15324",
"created_at": "2022-09-04T14:36:57.865332Z",
"updated_at": "2022-09-04T14:36:57.865364Z",
"structure_string": "Th1 Ge2 Pd2\n1.0\n4.046439 -0.000000 -1.582976\n-0.619264 3.998772 -1.582976\n-0.001590 -0.001855 5.959221\nTh Ge Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.621356 0.621355 0.242709 Ge\n0.378645 0.378644 0.757289 Ge\n0.750000 0.249999 0.499999 Pd\n0.250001 0.749999 0.499999 Pd\n",
"nsites": 5,
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"elements": [
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"volume": 96.40112042306932,
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"formula_full": "Th1 Ge2 Pd2",
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{
"id": "jvasp-54846",
"created_at": "2022-09-04T14:37:42.547635Z",
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"structure_string": "Th1 Ge2 Os2\n1.0\n4.028981 0.000000 -1.587094\n-0.625186 3.980180 -1.587094\n-0.015006 -0.017547 5.869421\nTh Ge Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.371132 0.371133 0.742268 Ge\n0.628865 0.628866 0.257732 Ge\n0.749999 0.250000 0.500000 Os\n0.249999 0.750000 0.500000 Os\n",
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"elements": [
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"spacegroup": 139
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{
"id": "jvasp-92777",
"created_at": "2022-09-04T14:36:19.117457Z",
"updated_at": "2022-09-04T14:36:19.117471Z",
"structure_string": "Th1 Ge2 Au2\n1.0\n4.164634 -0.000000 -1.657419\n-0.659611 4.112067 -1.657419\n0.014186 0.016642 6.096638\nTh Ge Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.617035 0.617036 0.234071 Ge\n0.382965 0.382965 0.765929 Ge\n0.750000 0.250000 0.500000 Au\n0.250000 0.750000 0.500000 Au\n",
"nsites": 5,
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"elements": [
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},
{
"id": "jvasp-20078",
"created_at": "2022-09-04T14:36:37.454596Z",
"updated_at": "2022-09-04T14:36:37.454622Z",
"structure_string": "Th1 Ge1\n1.0\n3.724658 0.000000 2.150432\n1.241552 3.511641 2.150432\n0.000000 0.000000 4.300865\nTh Ge\n1 1\ndirect\n0.500000 0.500000 0.499999 Th\n0.000000 0.000000 0.000000 Ge\n",
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"elements": [
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"spacegroup": 225
},
{
"id": "jvasp-16532",
"created_at": "2022-09-04T14:37:49.631799Z",
"updated_at": "2022-09-04T14:37:49.631821Z",
"structure_string": "Th1 Ga2\n1.0\n2.128383 -3.686468 0.000000\n2.128383 3.686468 0.000000\n0.000000 0.000000 4.262176\nTh Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.333332 0.666666 0.500000 Ga\n0.666666 0.333332 0.500000 Ga\n",
"nsites": 3,
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"elements": [
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"density": 9.222903318476286,
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{
"id": "jvasp-42099",
"created_at": "2022-09-04T14:37:50.196613Z",
"updated_at": "2022-09-04T14:37:50.196626Z",
"structure_string": "Th1 Ga1 Au2\n1.0\n-0.000000 3.537619 3.537619\n3.537619 0.000000 3.537619\n3.537619 3.537619 0.000000\nTh Ga Au\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Th\n0.250000 0.250000 0.250000 Ga\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-15018",
"created_at": "2022-09-04T14:36:47.212234Z",
"updated_at": "2022-09-04T14:36:47.212247Z",
"structure_string": "Th1 Fe5\n1.0\n2.534227 -4.389410 -0.000000\n2.534227 4.389410 0.000000\n-0.000000 -0.000000 3.990617\nTh Fe\n1 5\ndirect\n0.000000 0.000000 0.000000 Th\n0.500001 0.500001 0.500000 Fe\n0.333334 0.666668 0.000000 Fe\n0.666668 0.333334 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n",
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