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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4507",
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"results": [
{
"id": "jvasp-102307",
"created_at": "2022-09-04T14:36:43.720317Z",
"updated_at": "2022-09-04T14:36:43.720337Z",
"structure_string": "Sm1 Si2 Ru3\n1.0\n5.605835 -0.000000 0.000000\n-2.802917 4.854796 0.000000\n0.000000 0.000000 3.633270\nSm Si Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333334 0.666667 -0.000000 Si\n0.666667 0.333334 -0.000000 Si\n-0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n",
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"volume": 98.88011642086015,
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{
"id": "jvasp-99493",
"created_at": "2022-09-04T14:36:32.547396Z",
"updated_at": "2022-09-04T14:36:32.547416Z",
"structure_string": "Ta1 Si1 Ru2\n1.0\n3.765030 0.000000 2.173741\n1.255010 3.549704 2.173741\n-0.000000 -0.000000 4.347482\nTa Si Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.499999 0.500000 Si\n0.250000 0.250000 0.250000 Ru\n0.750000 0.749999 0.750000 Ru\n",
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"spacegroup": 225
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{
"id": "jvasp-15252",
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"updated_at": "2022-09-04T14:36:58.039229Z",
"structure_string": "Tb1 Si2 Ru2\n1.0\n3.896197 0.000000 -1.554200\n-0.619973 3.846555 -1.554200\n-0.009450 -0.011095 5.637064\nTb Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.631516 0.631516 0.263028 Si\n0.368486 0.368487 0.736972 Si\n0.750001 0.250001 0.500000 Ru\n0.250001 0.750002 0.500000 Ru\n",
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"nelements": 3,
"elements": [
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"volume": 84.34794644761391,
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"formula_full": "Tb1 Si2 Ru2",
"formula_reduced": "Tb(SiRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.38623132,
"spacegroup": 139
},
{
"id": "jvasp-22277",
"created_at": "2022-09-04T14:37:53.148802Z",
"updated_at": "2022-09-04T14:37:53.148820Z",
"structure_string": "Tb4 Si10 Ru6\n1.0\n5.316168 -0.000000 1.924769\n2.061620 7.568599 2.609804\n0.013346 -0.009530 8.267090\nTb Si Ru\n4 10 6\ndirect\n0.635486 0.096789 0.632240 Tb\n0.864515 0.367760 0.903211 Tb\n0.135486 0.632240 0.096788 Tb\n0.364515 0.903211 0.367760 Tb\n0.095461 0.236157 0.572923 Si\n0.904540 0.763843 0.427077 Si\n0.250000 0.000000 0.000000 Si\n0.458751 0.291249 0.291249 Si\n0.041249 0.708751 0.708751 Si\n0.541250 0.708751 0.708751 Si\n0.958752 0.291249 0.291249 Si\n0.750000 0.000000 0.000000 Si\n0.404540 0.427077 0.763843 Si\n0.595461 0.572923 0.236157 Si\n0.854277 0.052039 0.239408 Ru\n0.750001 0.500000 0.500000 Ru\n0.354276 0.239409 0.052039 Ru\n0.645725 0.760592 0.947960 Ru\n0.145725 0.947961 0.760591 Ru\n0.250000 0.500000 0.500000 Ru\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Si",
"Ru"
],
"chemical_system": "Ru-Si-Tb",
"density": 7.6051190573482526,
"density_atomic": 0.06014419852564607,
"volume": 332.5341510947528,
"volume_molar": 10.012837326998548,
"formula_full": "Tb4 Si10 Ru6",
"formula_reduced": "Tb2Si5Ru3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 3.75922113,
"spacegroup": 72
},
{
"id": "jvasp-23457",
"created_at": "2022-09-04T14:37:39.831118Z",
"updated_at": "2022-09-04T14:37:39.831136Z",
"structure_string": "Tb4 Si4 Ru4\n1.0\n4.378191 -0.000000 0.000000\n-0.000000 7.034508 0.000000\n0.000000 0.000000 7.073573\nTb Si Ru\n4 4 4\ndirect\n0.250000 0.982485 0.814710 Tb\n0.750000 0.017516 0.185290 Tb\n0.250000 0.482485 0.685290 Tb\n0.750000 0.517516 0.314710 Tb\n0.250000 0.305532 0.106479 Si\n0.750000 0.694469 0.893521 Si\n0.250000 0.805532 0.393521 Si\n0.750000 0.194469 0.606479 Si\n0.750000 0.847040 0.568060 Ru\n0.250000 0.152961 0.431939 Ru\n0.750000 0.347040 0.931939 Ru\n0.250000 0.652961 0.068061 Ru\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Ru"
],
"chemical_system": "Ru-Si-Tb",
"density": 8.783269467652213,
"density_atomic": 0.0550825420212669,
"volume": 217.85486943153245,
"volume_molar": 10.932939074734248,
"formula_full": "Tb4 Si4 Ru4",
"formula_reduced": "TbSiRu",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-35327",
"created_at": "2022-09-04T14:37:39.868850Z",
"updated_at": "2022-09-04T14:37:39.868876Z",
"structure_string": "Th1 Si2 Ru3\n1.0\n2.824005 -4.891320 -0.000000\n2.824005 4.891320 0.000000\n-0.000000 0.000000 3.635277\nTh Si Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.666668 0.333334 0.000000 Si\n0.333334 0.666668 0.000000 Si\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.500001 0.500001 0.500000 Ru\n",
"nsites": 6,
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"elements": [
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"volume": 100.42897769720568,
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"formula_full": "Th1 Si2 Ru3",
"formula_reduced": "ThSi2Ru3",
"formula_anonymous": "AB2C3",
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"spacegroup": 191
},
{
"id": "jvasp-99551",
"created_at": "2022-09-04T14:36:48.245855Z",
"updated_at": "2022-09-04T14:36:48.245882Z",
"structure_string": "Th2 Si3 Ru1\n1.0\n4.069811 -0.000584 -6.669920\n-0.314821 3.929327 -6.746293\n0.016123 0.000584 7.813509\nTh Si Ru\n2 3 1\ndirect\n0.748984 0.248985 0.500000 Th\n0.002539 0.002539 0.000000 Th\n0.584071 0.584072 0.000001 Si\n0.329892 0.829892 0.500001 Si\n0.418489 0.418489 0.000001 Si\n0.166024 0.666025 0.500000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"density": 8.600097179442155,
"density_atomic": 0.04785105035348717,
"volume": 125.3890971185912,
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"formula_full": "Th2 Si3 Ru1",
"formula_reduced": "Th2Si3Ru",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.6963679166666665,
"spacegroup": 44
},
{
"id": "jvasp-15530",
"created_at": "2022-09-04T14:35:42.240245Z",
"updated_at": "2022-09-04T14:35:42.240275Z",
"structure_string": "Th1 Si2 Ru2\n1.0\n3.938392 -0.000000 -1.556586\n-0.615216 3.890043 -1.556586\n-0.007127 -0.008342 5.742617\nTh Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.632411 0.632412 0.264824 Si\n0.367586 0.367587 0.735174 Si\n0.749999 0.250000 0.499999 Ru\n0.249999 0.750000 0.499999 Ru\n",
"nsites": 5,
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"elements": [
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"volume": 87.87756137296068,
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"formula_full": "Th1 Si2 Ru2",
"formula_reduced": "Th(SiRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.79507676,
"spacegroup": 139
},
{
"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",
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"elements": [
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"formula_full": "Th1 Si3 Ru1",
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"formula_anonymous": "ABC3",
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"spacegroup": 107
},
{
"id": "jvasp-21703",
"created_at": "2022-09-04T14:38:36.415878Z",
"updated_at": "2022-09-04T14:38:36.415898Z",
"structure_string": "Ti6 Si6 Ru6\n1.0\n5.840039 0.000000 -2.859786\n-1.662578 6.014109 -3.395191\n0.000875 -0.020359 7.394721\nTi Si Ru\n6 6 6\ndirect\n0.045061 0.026068 0.552133 Ti\n0.100732 0.554671 0.609341 Ti\n0.920617 0.753351 0.006703 Ti\n0.491391 0.445329 0.390659 Ti\n0.492926 0.973932 0.447866 Ti\n0.913913 0.246649 0.993296 Ti\n0.538638 0.781865 0.063729 Si\n0.474908 0.218135 0.936270 Si\n0.827412 0.338705 0.664996 Si\n0.162415 0.661294 0.335003 Si\n0.162415 0.173708 0.335002 Si\n0.827412 0.826292 0.664997 Si\n0.496880 0.408910 0.746913 Ru\n0.245327 0.500000 -0.000000 Ru\n0.245328 -0.000000 -0.000000 Ru\n0.496881 0.838000 0.746913 Ru\n0.749967 0.591090 0.253086 Ru\n0.749968 0.162000 0.253086 Ru\n",
"nsites": 18,
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"volume": 259.2366285482563,
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"formula_full": "Ti6 Si6 Ru6",
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},
{
"id": "jvasp-39675",
"created_at": "2022-09-04T14:37:38.660502Z",
"updated_at": "2022-09-04T14:37:38.660512Z",
"structure_string": "Ti1 Si1 Ru2\n1.0\n0.000000 3.003990 3.003990\n3.003990 -0.000000 3.003990\n3.003990 3.003990 -0.000000\nTi Si Ru\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 4,
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"formula_full": "Ti1 Si1 Ru2",
"formula_reduced": "TiSiRu2",
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{
"id": "jvasp-92396",
"created_at": "2022-09-04T14:35:58.932587Z",
"updated_at": "2022-09-04T14:35:58.932605Z",
"structure_string": "Tm1 Si2 Ru2\n1.0\n3.878187 0.000000 -1.554427\n-0.623034 3.827813 -1.554427\n-0.012561 -0.014770 5.583778\nTm Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.369898 0.369897 0.739794 Si\n0.630104 0.630103 0.260206 Si\n0.750001 0.250000 0.500000 Ru\n0.250001 0.749999 0.500000 Ru\n",
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"volume": 82.71296099072732,
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"formula_full": "Tm1 Si2 Ru2",
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}
]
}