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{
"id": "jvasp-92446",
"created_at": "2022-09-04T14:36:03.185654Z",
"updated_at": "2022-09-04T14:36:03.185676Z",
"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",
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{
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"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",
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{
"id": "jvasp-8504",
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"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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"spacegroup": 139
},
{
"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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"Ge",
"Pd"
],
"chemical_system": "Ge-Pd-Th",
"density": 10.16565481602382,
"density_atomic": 0.051866617089685534,
"volume": 96.40112042306932,
"volume_molar": 11.610822332188684,
"formula_full": "Th1 Ge2 Pd2",
"formula_reduced": "Th(GePd)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-54846",
"created_at": "2022-09-04T14:37:42.547635Z",
"updated_at": "2022-09-04T14:37:42.547660Z",
"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",
"nsites": 5,
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"elements": [
"Th",
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],
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"density": 13.400919574332507,
"density_atomic": 0.05324924821520869,
"volume": 93.89803926981891,
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"formula_full": "Th1 Ge2 Os2",
"formula_reduced": "Th(GeOs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.5145215,
"spacegroup": 139
},
{
"id": "jvasp-99256",
"created_at": "2022-09-04T14:35:56.105717Z",
"updated_at": "2022-09-04T14:35:56.105738Z",
"structure_string": "Th2 Ge2 O8\n1.0\n4.811492 0.000000 -1.957588\n-0.796459 4.745114 -1.957588\n-0.013828 -0.016342 6.857811\nTh Ge O\n2 2 8\ndirect\n0.375000 0.125000 0.750000 Th\n0.624999 0.874999 0.249999 Th\n0.874999 0.625000 0.749999 Ge\n0.125000 0.375000 0.250000 Ge\n0.945779 0.289702 0.591089 O\n0.301386 0.445780 0.091090 O\n0.789702 0.145310 0.091090 O\n0.645309 0.801386 0.591089 O\n0.354690 0.198613 0.408910 O\n0.210297 0.854690 0.908909 O\n0.698613 0.554220 0.908909 O\n0.054219 0.710297 0.408910 O\n",
"nsites": 12,
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"elements": [
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"Ge",
"O"
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"chemical_system": "Ge-O-Th",
"density": 7.835493998712206,
"density_atomic": 0.07679343051942207,
"volume": 156.2633667858482,
"volume_molar": 7.841999920132389,
"formula_full": "Th2 Ge2 O8",
"formula_reduced": "ThGeO4",
"formula_anonymous": "ABC4",
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"spacegroup": 88
},
{
"id": "jvasp-9684",
"created_at": "2022-09-04T14:38:01.258995Z",
"updated_at": "2022-09-04T14:38:01.259016Z",
"structure_string": "Th2 Ge2 O8\n1.0\n5.863783 0.012368 -1.782966\n-3.217921 4.901948 -1.782966\n-0.006659 -0.012368 6.128856\nTh Ge O\n2 2 8\ndirect\n0.125000 0.875000 0.250000 Th\n0.874999 0.125000 0.750000 Th\n0.375000 0.625000 0.750000 Ge\n0.625000 0.375000 0.249999 Ge\n0.803818 0.736216 0.432396 O\n0.371421 0.803819 0.567603 O\n0.736215 0.803819 0.932396 O\n0.803818 0.371422 0.067602 O\n0.628578 0.196182 0.432397 O\n0.196181 0.263784 0.567603 O\n0.196181 0.628578 0.932397 O\n0.263784 0.196182 0.067603 O\n",
"nsites": 12,
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"elements": [
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"Ge",
"O"
],
"chemical_system": "Ge-O-Th",
"density": 6.9507720088807226,
"density_atomic": 0.06812252391592073,
"volume": 176.1531914878966,
"volume_molar": 8.840160953861226,
"formula_full": "Th2 Ge2 O8",
"formula_reduced": "ThGeO4",
"formula_anonymous": "ABC4",
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"spacegroup": 141
},
{
"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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"Ge",
"Au"
],
"chemical_system": "Au-Ge-Th",
"density": 12.239477826657696,
"density_atomic": 0.04778459892032699,
"volume": 104.63622407580908,
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"formula_full": "Th1 Ge2 Au2",
"formula_reduced": "Th(GeAu)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-90185",
"created_at": "2022-09-04T14:36:03.590186Z",
"updated_at": "2022-09-04T14:36:03.590203Z",
"structure_string": "Th3 Ga3 Rh3\n1.0\n0.000000 0.000000 -4.035316\n-3.653854 -6.328660 0.000000\n-3.653974 6.328729 0.000000\nTh Ga Rh\n3 3 3\ndirect\n0.500001 0.588120 -0.000000 Th\n0.500001 0.411858 0.411870 Th\n0.500001 0.999986 0.588128 Th\n0.000000 0.240282 -0.000000 Ga\n0.000000 0.759698 0.759711 Ga\n0.000000 -0.000014 0.240288 Ga\n0.000000 0.333323 0.666666 Rh\n0.000000 0.666656 0.333332 Rh\n0.500001 0.999988 -0.000001 Rh\n",
"nsites": 9,
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"elements": [
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"Ga",
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],
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"density": 10.80158957464067,
"density_atomic": 0.04822392011293008,
"volume": 186.629373533382,
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"formula_full": "Th3 Ga3 Rh3",
"formula_reduced": "ThGaRh",
"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"id": "jvasp-89927",
"created_at": "2022-09-04T14:35:52.062108Z",
"updated_at": "2022-09-04T14:35:52.062133Z",
"structure_string": "Th3 Ga3 Ni3\n1.0\n0.000000 0.000000 -4.035430\n-3.537925 -6.127865 0.000000\n-3.538186 6.128016 0.000000\nTh Ga Ni\n3 3 3\ndirect\n0.500000 0.583293 -0.000000 Th\n0.500000 0.416684 0.416699 Th\n0.500000 0.999986 0.583302 Th\n0.000000 0.235910 -0.000000 Ga\n0.000000 0.764072 0.764084 Ga\n0.000000 0.999987 0.235916 Ga\n0.000000 0.333318 0.666668 Ni\n0.000000 0.666651 0.333333 Ni\n0.500000 -0.000007 0.000000 Ni\n",
"nsites": 9,
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],
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"volume": 174.98426384382782,
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"formula_full": "Th3 Ga3 Ni3",
"formula_reduced": "ThGaNi",
"formula_anonymous": "ABC",
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},
{
"id": "jvasp-89980",
"created_at": "2022-09-04T14:36:02.870423Z",
"updated_at": "2022-09-04T14:36:02.870444Z",
"structure_string": "Th3 Ga3 Ir3\n1.0\n0.000000 0.000000 -4.049859\n-3.668566 -6.354141 0.000000\n-3.668551 6.354133 0.000000\nTh Ga Ir\n3 3 3\ndirect\n0.500000 0.587890 0.000000 Th\n0.500000 0.412089 0.412100 Th\n0.500000 0.999989 0.587900 Th\n0.000000 0.238454 0.000000 Ga\n0.000000 0.761523 0.761535 Ga\n0.000000 0.999990 0.238466 Ga\n0.000000 0.333323 0.666668 Ir\n0.000000 0.666655 0.333332 Ir\n0.500000 0.999989 0.000001 Ir\n",
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"volume": 188.80866517445344,
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"formula_full": "Th3 Ga3 Ir3",
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"formula_anonymous": "ABC",
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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",
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"volume": 88.54482194838309,
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"formula_full": "Th1 Ga1 Au2",
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"spacegroup": 225
}
]
}