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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=3485",
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{
"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",
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{
"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",
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"volume": 67.36036470330853,
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"formula_full": "Th1 Si1 Au1",
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{
"id": "jvasp-15664",
"created_at": "2022-09-04T14:36:38.910528Z",
"updated_at": "2022-09-04T14:36:38.910556Z",
"structure_string": "Th1 Si2 Cu2\n1.0\n3.867239 0.000000 -1.486194\n-0.571149 3.824830 -1.486194\n-0.011282 -0.013092 5.745230\nTh Si Cu\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.621798 0.621798 0.243598 Si\n0.378202 0.378202 0.756403 Si\n0.750000 0.250000 0.500001 Cu\n0.250000 0.750000 0.500001 Cu\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Cu-Si-Th",
"density": 8.12945315040487,
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"volume": 84.83026124531455,
"volume_molar": 10.21719547853714,
"formula_full": "Th1 Si2 Cu2",
"formula_reduced": "Th(CuSi)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-106718",
"created_at": "2022-09-04T14:38:44.770568Z",
"updated_at": "2022-09-04T14:38:44.770598Z",
"structure_string": "Th4 Si2 Ge2\n1.0\n4.312478 0.000000 0.000000\n0.000000 5.942591 0.000000\n0.000000 0.000000 7.898988\nTh Si Ge\n4 2 2\ndirect\n-0.000000 0.115228 0.682873 Th\n-0.000000 0.884772 0.182872 Th\n0.500000 0.380515 0.318292 Th\n0.500000 0.619485 0.818292 Th\n0.500000 0.900746 0.456480 Si\n0.500000 0.099254 0.956480 Si\n-0.000000 0.601665 0.542356 Ge\n-0.000000 0.398335 0.042356 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Si",
"Ge"
],
"chemical_system": "Ge-Si-Th",
"density": 9.266182283733698,
"density_atomic": 0.039519896589352316,
"volume": 202.42967948846828,
"volume_molar": 15.23825029851551,
"formula_full": "Th4 Si2 Ge2",
"formula_reduced": "Th2SiGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.4805489375,
"spacegroup": 26
},
{
"id": "jvasp-106326",
"created_at": "2022-09-04T14:38:13.965973Z",
"updated_at": "2022-09-04T14:38:13.965997Z",
"structure_string": "Th4 Si1 Ge1\n1.0\n5.860677 0.031355 -1.526439\n-3.494773 4.704794 -1.526439\n-0.015663 -0.031355 6.056179\nTh Si Ge\n4 1 1\ndirect\n0.914204 0.414203 0.828406 Th\n0.585797 0.085796 0.171593 Th\n0.085797 0.914203 0.500000 Th\n0.414204 0.585796 0.500000 Th\n0.500000 0.499999 -0.000000 Si\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Ge-Si-Th",
"density": 10.224805255688572,
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"volume": 167.0928334869359,
"volume_molar": 16.77094272075949,
"formula_full": "Th4 Si1 Ge1",
"formula_reduced": "Th4SiGe",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.133402825,
"spacegroup": 97
},
{
"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,
"nelements": 3,
"elements": [
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"Si",
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],
"chemical_system": "Ir-Si-Th",
"density": 11.816033357414234,
"density_atomic": 0.04719308133309637,
"volume": 127.13728009516974,
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"formula_full": "Th2 Si2 Ir2",
"formula_reduced": "ThSiIr",
"formula_anonymous": "ABC",
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"spacegroup": 109
},
{
"id": "jvasp-102667",
"created_at": "2022-09-04T14:36:51.424172Z",
"updated_at": "2022-09-04T14:36:51.424193Z",
"structure_string": "Th2 Si3 Ir1\n1.0\n4.077228 -0.015865 -6.566246\n-0.311526 3.959645 -6.630519\n-0.001961 0.015865 7.729125\nTh Si Ir\n2 3 1\ndirect\n0.751514 0.251513 0.499999 Th\n0.001256 0.001256 -0.000000 Th\n0.583718 0.583717 -0.000002 Si\n0.331681 0.831680 0.499998 Si\n0.416756 0.416756 -0.000001 Si\n0.165076 0.665076 0.499999 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Ir"
],
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"density": 9.825599019208068,
"density_atomic": 0.04794099309545568,
"volume": 125.1538529469624,
"volume_molar": 12.561568651715806,
"formula_full": "Th2 Si3 Ir1",
"formula_reduced": "Th2Si3Ir",
"formula_anonymous": "AB2C3",
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"spacegroup": 44
},
{
"id": "jvasp-92575",
"created_at": "2022-09-04T14:36:00.810600Z",
"updated_at": "2022-09-04T14:36:00.810620Z",
"structure_string": "Th1 Si3 Ir1\n1.0\n4.311957 0.000000 0.000000\n0.000000 4.311957 0.000000\n-2.155979 -2.155979 4.879762\nTh Si Ir\n1 3 1\ndirect\n0.000316 0.000316 0.000630 Th\n0.410243 0.410243 0.820485 Si\n0.764132 0.264132 0.528264 Si\n0.264132 0.764132 0.528264 Si\n0.655179 0.655179 0.310356 Ir\n",
"nsites": 5,
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"elements": [
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"volume": 90.72928394124868,
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"formula_full": "Th1 Si3 Ir1",
"formula_reduced": "ThSi3Ir",
"formula_anonymous": "ABC3",
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"spacegroup": 107
},
{
"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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],
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"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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"spacegroup": 139
},
{
"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",
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"formula_full": "Th1 Si2 Ni2",
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},
{
"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",
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"formula_full": "Th2 Si2 Ni2",
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{
"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",
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"elements": [
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"density": 6.553271877778233,
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"formula_full": "Th2 Si2 O8",
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}