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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=663",
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"results": [
{
"id": "jvasp-101436",
"created_at": "2022-09-04T14:36:39.658398Z",
"updated_at": "2022-09-04T14:36:39.658420Z",
"structure_string": "Th2 Si2 Os4 C2\n1.0\n5.999283 -0.012831 -0.000000\n-4.661218 3.776849 0.000000\n-0.000000 0.000000 7.208812\nTh Si Os C\n2 2 4 2\ndirect\n0.553560 0.446440 0.250000 Th\n0.446440 0.553560 0.750000 Th\n0.272764 0.727237 0.250000 Si\n0.727236 0.272764 0.750000 Si\n0.835206 0.164794 0.055749 Os\n0.164794 0.835206 0.944250 Os\n0.164794 0.835206 0.555749 Os\n0.835206 0.164794 0.444251 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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{
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"structure_string": "Th1 Si2 Os2\n1.0\n3.960354 0.000000 -1.555484\n-0.610937 3.912947 -1.555484\n-0.023166 -0.027064 5.760406\nTh Si Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.630798 0.630800 0.261601 Si\n0.369199 0.369202 0.738401 Si\n0.749999 0.250001 0.500001 Os\n0.249999 0.750001 0.500001 Os\n",
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"elements": [
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"volume": 88.93358525018564,
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{
"id": "jvasp-85898",
"created_at": "2022-09-04T14:36:22.136681Z",
"updated_at": "2022-09-04T14:36:22.136708Z",
"structure_string": "Th1 Si2 Os2\n1.0\n3.960354 0.000000 -1.555484\n-0.610937 3.912947 -1.555484\n-0.023166 -0.027064 5.760406\nTh Si Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.630798 0.630800 0.261601 Si\n0.369199 0.369202 0.738401 Si\n0.749999 0.250001 0.500001 Os\n0.249999 0.750001 0.500001 Os\n",
"nsites": 5,
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"elements": [
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"density_atomic": 0.05622172979908693,
"volume": 88.93358525018564,
"volume_molar": 10.711411373361555,
"formula_full": "Th1 Si2 Os2",
"formula_reduced": "Th(SiOs)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-9741",
"created_at": "2022-09-04T14:37:13.074170Z",
"updated_at": "2022-09-04T14:37:13.074200Z",
"structure_string": "Th2 Si2 O8\n1.0\n5.748533 0.011704 -1.694679\n-3.211412 4.767873 -1.694679\n-0.006212 -0.011704 5.993124\nTh Si O\n2 2 8\ndirect\n0.625000 0.374999 0.249999 Th\n0.375000 0.625000 0.749999 Th\n0.125000 0.875000 0.250000 Si\n0.875000 0.125000 0.749999 Si\n0.136179 0.709160 0.427017 O\n0.709160 0.782143 0.572982 O\n0.709160 0.136179 0.927016 O\n0.782143 0.709159 0.072982 O\n0.290839 0.863821 0.072982 O\n0.217857 0.290840 0.927017 O\n0.863821 0.290839 0.572982 O\n0.290840 0.217857 0.427017 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Si",
"O"
],
"chemical_system": "O-Si-Th",
"density": 6.553271877778233,
"density_atomic": 0.07305550621903525,
"volume": 164.25866606168688,
"volume_molar": 8.24324006727761,
"formula_full": "Th2 Si2 O8",
"formula_reduced": "ThSiO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.392034700000001,
"spacegroup": 141
},
{
"id": "jvasp-15621",
"created_at": "2022-09-04T14:36:42.805686Z",
"updated_at": "2022-09-04T14:36:42.805715Z",
"structure_string": "Th1 Si2 Ni2\n1.0\n3.826021 -0.000000 -1.502146\n-0.589762 3.780293 -1.502146\n-0.011164 -0.013040 5.595145\nTh Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.630521 0.630520 0.261041 Si\n0.369480 0.369479 0.738959 Si\n0.750000 0.250000 0.500000 Ni\n0.250001 0.750000 0.500000 Ni\n",
"nsites": 5,
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"elements": [
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"density_atomic": 0.061900050454466865,
"volume": 80.77537842522368,
"volume_molar": 9.728813976379282,
"formula_full": "Th1 Si2 Ni2",
"formula_reduced": "Th(SiNi)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-94302",
"created_at": "2022-09-04T14:36:01.928515Z",
"updated_at": "2022-09-04T14:36:01.928549Z",
"structure_string": "Th2 Si2 Ni2\n1.0\n4.097769 0.000000 0.000000\n0.000000 4.097769 0.000000\n-2.048885 -2.048885 7.045582\nTh Si Ni\n2 2 2\ndirect\n0.248797 0.748797 0.497595 Th\n0.998798 0.998798 0.997594 Th\n0.668157 0.168157 0.336312 Si\n0.418157 0.418157 0.836312 Si\n0.837048 0.337048 0.674094 Ni\n0.587047 0.587047 0.174094 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-Th",
"density": 8.949704382671339,
"density_atomic": 0.05071535049903977,
"volume": 118.3073752021807,
"volume_molar": 11.874394440227759,
"formula_full": "Th2 Si2 Ni2",
"formula_reduced": "ThSiNi",
"formula_anonymous": "ABC",
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"spacegroup": 109
},
{
"id": "jvasp-92535",
"created_at": "2022-09-04T14:36:08.060547Z",
"updated_at": "2022-09-04T14:36:08.060580Z",
"structure_string": "Th1 Si2 Ir2\n1.0\n4.270882 -0.000000 -0.000000\n0.000000 4.270882 0.000000\n-2.135441 -2.135441 4.989381\nTh Si Ir\n1 2 2\ndirect\n0.022996 0.022996 0.045992 Th\n0.773000 0.273001 0.546000 Si\n0.273001 0.773000 0.546000 Si\n0.656599 0.656599 0.313198 Ir\n0.389404 0.389404 0.778807 Ir\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"Si",
"Ir"
],
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"density": 12.273034338450824,
"density_atomic": 0.054939941225295635,
"volume": 91.00847013097791,
"volume_molar": 10.961316349620091,
"formula_full": "Th1 Si2 Ir2",
"formula_reduced": "Th(SiIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.842747,
"spacegroup": 139
},
{
"id": "jvasp-102629",
"created_at": "2022-09-04T14:36:54.356309Z",
"updated_at": "2022-09-04T14:36:54.356336Z",
"structure_string": "Th2 Si2 Ir2\n1.0\n4.037216 -0.004556 -6.685538\n-0.317058 4.024749 -6.685538\n0.004216 0.004556 7.809962\nTh Si Ir\n2 2 2\ndirect\n0.578235 0.578234 -0.000000 Th\n0.328235 0.828235 0.500000 Th\n0.000279 0.000279 -0.000000 Si\n0.750280 0.250279 0.500000 Si\n0.168486 0.168486 -0.000000 Ir\n0.918487 0.418486 0.500000 Ir\n",
"nsites": 6,
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"elements": [
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"Si",
"Ir"
],
"chemical_system": "Ir-Si-Th",
"density": 11.816033357414234,
"density_atomic": 0.04719308133309637,
"volume": 127.13728009516974,
"volume_molar": 12.76064327627764,
"formula_full": "Th2 Si2 Ir2",
"formula_reduced": "ThSiIr",
"formula_anonymous": "ABC",
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"spacegroup": 109
},
{
"id": "jvasp-17378",
"created_at": "2022-09-04T14:38:28.229848Z",
"updated_at": "2022-09-04T14:38:28.229874Z",
"structure_string": "Th1 Si2 Au2\n1.0\n4.110347 0.000000 -1.575821\n-0.604137 4.065706 -1.575821\n-0.084943 -0.098496 5.927031\nTh Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.615281 0.615281 0.230561 Si\n0.384720 0.384719 0.769440 Si\n0.750001 0.250000 0.500000 Au\n0.250000 0.750000 0.500000 Au\n",
"nsites": 5,
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"elements": [
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],
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"density": 11.585194043232567,
"density_atomic": 0.0511386551725761,
"volume": 97.77339633055756,
"volume_molar": 11.776103105717704,
"formula_full": "Th1 Si2 Au2",
"formula_reduced": "Th(SiAu)2",
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"spacegroup": 139
},
{
"id": "jvasp-16125",
"created_at": "2022-09-04T14:36:32.716841Z",
"updated_at": "2022-09-04T14:36:32.716870Z",
"structure_string": "Th1 Si1 Au1\n1.0\n2.157944 -3.737667 0.000000\n2.157944 3.737667 -0.000000\n-0.000000 0.000000 4.175742\nTh Si Au\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Th\n0.333332 0.666666 0.500000 Si\n0.666666 0.333332 0.500000 Au\n",
"nsites": 3,
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"elements": [
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"density": 11.267991488835467,
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"volume": 67.36036470330853,
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"formula_full": "Th1 Si1 Au1",
"formula_reduced": "ThSiAu",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"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",
"nsites": 5,
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"elements": [
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"volume": 90.80891023139004,
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"formula_full": "Th1 Si3 Ru1",
"formula_reduced": "ThSi3Ru",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.5483203799999994,
"spacegroup": 107
},
{
"id": "jvasp-92706",
"created_at": "2022-09-04T14:35:45.007419Z",
"updated_at": "2022-09-04T14:35:45.007443Z",
"structure_string": "Th1 Si3 Rh1\n1.0\n4.311102 -0.000000 0.000000\n0.000000 4.311102 -0.000000\n-2.155551 -2.155551 4.844150\nTh Si Rh\n1 3 1\ndirect\n0.001105 0.001105 0.002211 Th\n0.409954 0.409954 0.819907 Si\n0.763598 0.263598 0.527197 Si\n0.263598 0.763598 0.527197 Si\n0.655743 0.655743 0.311487 Rh\n",
"nsites": 5,
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"formula_full": "Th1 Si3 Rh1",
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}
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}