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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1160",
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"results": [
{
"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",
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"elements": [
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"volume": 90.03143644120112,
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"formula_full": "Th1 Si3 Rh1",
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"spacegroup": 107
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{
"id": "jvasp-35344",
"created_at": "2022-09-04T14:37:36.957009Z",
"updated_at": "2022-09-04T14:37:36.957025Z",
"structure_string": "Th2 Si2 Pt2\n1.0\n4.183200 0.000000 0.000000\n0.000000 4.183200 0.000000\n-2.091600 -2.091600 7.411455\nTh Si Pt\n2 2 2\ndirect\n0.580761 0.580761 0.161521 Th\n0.830760 0.330760 0.661521 Th\n-0.000013 -0.000013 -0.000026 Si\n0.249987 0.749987 0.499974 Si\n0.166252 0.166252 0.332504 Pt\n0.416252 0.916252 0.832504 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Si",
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],
"chemical_system": "Pt-Si-Th",
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"volume": 129.6942534794592,
"volume_molar": 13.017284170273719,
"formula_full": "Th2 Si2 Pt2",
"formula_reduced": "ThSiPt",
"formula_anonymous": "ABC",
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{
"id": "jvasp-15417",
"created_at": "2022-09-04T14:36:51.779351Z",
"updated_at": "2022-09-04T14:36:51.779372Z",
"structure_string": "Th1 Si2 Pt2\n1.0\n3.994630 -0.000000 -1.593082\n-0.635331 3.943783 -1.593082\n0.006375 0.007484 5.820764\nTh Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.620583 0.620583 0.241167 Si\n0.379416 0.379416 0.758832 Si\n0.749999 0.249999 0.500000 Pt\n0.249999 0.749999 0.500000 Pt\n",
"nsites": 5,
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"elements": [
"Th",
"Si",
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],
"chemical_system": "Pt-Si-Th",
"density": 12.271560642010835,
"density_atomic": 0.05446901871696829,
"volume": 91.79530158200538,
"volume_molar": 11.056084544669742,
"formula_full": "Th1 Si2 Pt2",
"formula_reduced": "Th(SiPt)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.97755512,
"spacegroup": 139
},
{
"id": "jvasp-15589",
"created_at": "2022-09-04T14:36:56.730878Z",
"updated_at": "2022-09-04T14:36:56.730893Z",
"structure_string": "Th1 Si2 Pd2\n1.0\n3.963159 0.000000 -1.541107\n-0.599272 3.917590 -1.541107\n-0.001651 -0.001923 5.862201\nTh Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.618448 0.618448 0.236895 Si\n0.381553 0.381553 0.763104 Si\n0.750000 0.250000 0.500000 Pd\n0.250001 0.750000 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"Si",
"Pd"
],
"chemical_system": "Pd-Si-Th",
"density": 9.14366399288286,
"density_atomic": 0.05494914175301847,
"volume": 90.99323193205906,
"volume_molar": 10.959481018043729,
"formula_full": "Th1 Si2 Pd2",
"formula_reduced": "Th(SiPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.58571484,
"spacegroup": 139
},
{
"id": "jvasp-86326",
"created_at": "2022-09-04T14:36:01.573513Z",
"updated_at": "2022-09-04T14:36:01.573536Z",
"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,
"nelements": 3,
"elements": [
"Th",
"Si",
"Os"
],
"chemical_system": "Os-Si-Th",
"density": 12.485171868794994,
"density_atomic": 0.05622172979908693,
"volume": 88.93358525018564,
"volume_molar": 10.711411373361555,
"formula_full": "Th1 Si2 Os2",
"formula_reduced": "Th(SiOs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.44862456,
"spacegroup": 139
},
{
"id": "jvasp-92729",
"created_at": "2022-09-04T14:36:38.622804Z",
"updated_at": "2022-09-04T14:36:38.622833Z",
"structure_string": "Th1 Si3 Os1\n1.0\n4.286535 0.000000 0.000000\n0.000000 4.286535 0.000000\n-2.143267 -2.143267 4.999816\nTh Si Os\n1 3 1\ndirect\n0.995294 0.995294 0.990587 Th\n0.418384 0.418384 0.836767 Si\n0.762527 0.262527 0.525055 Si\n0.262527 0.762527 0.525055 Si\n0.655271 0.655271 0.310539 Os\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Si",
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"density": 9.155516194382079,
"density_atomic": 0.0544256010726135,
"volume": 91.86853064478065,
"volume_molar": 11.064904459144852,
"formula_full": "Th1 Si3 Os1",
"formula_reduced": "ThSi3Os",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.870263280000001,
"spacegroup": 107
},
{
"id": "jvasp-102176",
"created_at": "2022-09-04T14:36:40.334664Z",
"updated_at": "2022-09-04T14:36:40.334687Z",
"structure_string": "Th2 Si3 Os1\n1.0\n4.074559 0.001704 -6.666786\n-0.322162 3.951940 -6.732493\n0.019487 -0.001704 7.813302\nTh Si Os\n2 3 1\ndirect\n0.749587 0.249586 0.500000 Th\n0.003104 0.003104 -0.000000 Th\n0.583918 0.583917 -0.000000 Si\n0.330114 0.830113 0.500001 Si\n0.417874 0.417873 -0.000000 Si\n0.165405 0.665405 0.500001 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Si",
"Os"
],
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"density": 9.711840122093614,
"density_atomic": 0.047513426775437025,
"volume": 126.28009401127461,
"volume_molar": 12.674608355365477,
"formula_full": "Th2 Si3 Os1",
"formula_reduced": "Th2Si3Os",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.9761236666666666,
"spacegroup": 44
},
{
"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": [
"Th",
"Si",
"Os"
],
"chemical_system": "Os-Si-Th",
"density": 12.485171868794994,
"density_atomic": 0.05622172979908693,
"volume": 88.93358525018564,
"volume_molar": 10.711411373361555,
"formula_full": "Th1 Si2 Os2",
"formula_reduced": "Th(SiOs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.44862456,
"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": [
"Th",
"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": [
"Th",
"Si",
"Ni"
],
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"density": 8.338032998566657,
"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,
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"elements": [
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"Si",
"Ni"
],
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"density": 8.949704382671339,
"density_atomic": 0.05071535049903977,
"volume": 118.3073752021807,
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"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,
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"elements": [
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"Si",
"Ir"
],
"chemical_system": "Ir-Si-Th",
"density": 12.273034338450824,
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"volume": 91.00847013097791,
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"formula_full": "Th1 Si2 Ir2",
"formula_reduced": "Th(SiIr)2",
"formula_anonymous": "AB2C2",
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}
]
}