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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3568",
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"results": [
{
"id": "jvasp-92556",
"created_at": "2022-09-04T14:35:59.728230Z",
"updated_at": "2022-09-04T14:35:59.728255Z",
"structure_string": "Tb1 Si3 Ir1\n1.0\n4.225726 0.000000 -0.000000\n-0.000000 4.225726 0.000000\n-2.112863 -2.112863 4.906717\nTb Si Ir\n1 3 1\ndirect\n0.998421 0.998421 0.996839 Tb\n0.414124 0.414124 0.828247 Si\n0.764435 0.264435 0.528868 Si\n0.264435 0.764435 0.528868 Si\n0.652590 0.652590 0.305179 Ir\n",
"nsites": 5,
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"elements": [
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"volume": 87.61806897111767,
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"formula_full": "Tb1 Si3 Ir1",
"formula_reduced": "TbSi3Ir",
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"spacegroup": 107
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{
"id": "jvasp-81634",
"created_at": "2022-09-04T14:37:19.093903Z",
"updated_at": "2022-09-04T14:37:19.093921Z",
"structure_string": "Si2 Tc1 Ir1\n1.0\n-7.940097 0.000012 -4.584198\n-8.293035 -0.003468 5.195501\n-5.409415 8.152640 0.200927\nSi Tc Ir\n2 1 1\ndirect\n0.746290 0.000000 -0.000000 Si\n0.253710 -0.000000 -0.000000 Si\n0.000000 0.000000 0.000000 Tc\n0.500000 0.000000 -0.000000 Ir\n",
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"elements": [
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],
"chemical_system": "Ir-Si-Tc",
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"volume": 646.3485117592124,
"volume_molar": 97.31004294576232,
"formula_full": "Si2 Tc1 Ir1",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"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",
"Ir"
],
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"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",
"energy_above_hull": 2.9401651,
"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": [
"Th",
"Si",
"Ir"
],
"chemical_system": "Ir-Si-Th",
"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",
"energy_above_hull": 3.6879480166666654,
"spacegroup": 44
},
{
"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,
"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-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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],
"chemical_system": "Ir-Si-Th",
"density": 9.306844212994111,
"density_atomic": 0.05510899880172896,
"volume": 90.72928394124868,
"volume_molar": 10.927690378964144,
"formula_full": "Th1 Si3 Ir1",
"formula_reduced": "ThSi3Ir",
"formula_anonymous": "ABC3",
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"spacegroup": 107
},
{
"id": "jvasp-121797",
"created_at": "2022-09-04T14:38:55.386022Z",
"updated_at": "2022-09-04T14:38:55.386048Z",
"structure_string": "Ti4 Si4 Ir4\n1.0\n3.881154 0.000000 0.000000\n0.000000 6.279230 0.000000\n0.000000 0.000000 7.256737\nTi Si Ir\n4 4 4\ndirect\n0.250000 0.023255 0.820384 Ti\n0.250000 0.523255 0.679617 Ti\n0.749999 0.976745 0.179617 Ti\n0.749999 0.476745 0.320384 Ti\n0.250000 0.771217 0.376629 Si\n0.250000 0.271217 0.123371 Si\n0.749999 0.228783 0.623371 Si\n0.749999 0.728783 0.876629 Si\n0.250000 0.157419 0.437911 Ir\n0.250000 0.657419 0.062089 Ir\n0.749999 0.842581 0.562089 Ir\n0.749999 0.342581 0.937911 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Si",
"Ir"
],
"chemical_system": "Ir-Si-Ti",
"density": 10.071863262071313,
"density_atomic": 0.06785355340629005,
"volume": 176.85146020499488,
"volume_molar": 8.875203224716815,
"formula_full": "Ti4 Si4 Ir4",
"formula_reduced": "TiSiIr",
"formula_anonymous": "ABC",
"energy_above_hull": null,
"spacegroup": 62
},
{
"id": "jvasp-23845",
"created_at": "2022-09-04T14:37:39.373911Z",
"updated_at": "2022-09-04T14:37:39.373930Z",
"structure_string": "U2 Si4 Ir4\n1.0\n4.112683 0.000000 0.000000\n0.000000 4.112683 -0.000000\n0.000000 -0.000000 9.878290\nU Si Ir\n2 4 4\ndirect\n0.500000 0.000000 0.253771 U\n0.000000 0.500000 0.746229 U\n0.500000 0.000000 0.866705 Si\n0.000000 0.500000 0.133295 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.500000 0.370880 Ir\n0.500000 0.000000 0.629120 Ir\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n",
"nsites": 10,
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"elements": [
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"Si",
"Ir"
],
"chemical_system": "Ir-Si-U",
"density": 13.489082353953508,
"density_atomic": 0.059850496335213055,
"volume": 167.08299199377728,
"volume_molar": 10.061972963884797,
"formula_full": "U2 Si4 Ir4",
"formula_reduced": "U(SiIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.42891708,
"spacegroup": 129
},
{
"id": "jvasp-23334",
"created_at": "2022-09-04T14:37:40.344581Z",
"updated_at": "2022-09-04T14:37:40.344615Z",
"structure_string": "U4 Si4 Ir4\n1.0\n4.240541 0.000000 0.000000\n-0.000000 6.804853 0.000000\n0.000000 0.000000 7.493432\nU Si Ir\n4 4 4\ndirect\n0.250000 0.492031 0.699725 U\n0.750000 0.507969 0.300275 U\n0.250000 0.992030 0.800275 U\n0.750000 0.007969 0.199725 U\n0.250000 0.316135 0.086106 Si\n0.750000 0.683864 0.913894 Si\n0.250000 0.816135 0.413894 Si\n0.750000 0.183864 0.586106 Si\n0.750000 0.783336 0.587057 Ir\n0.250000 0.216664 0.412943 Ir\n0.750000 0.283336 0.912943 Ir\n0.250000 0.716663 0.087057 Ir\n",
"nsites": 12,
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"elements": [
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"Si",
"Ir"
],
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"density": 14.07887408060952,
"density_atomic": 0.05549584403459015,
"volume": 216.23240818754803,
"volume_molar": 10.851516658159925,
"formula_full": "U4 Si4 Ir4",
"formula_reduced": "USiIr",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-92537",
"created_at": "2022-09-04T14:36:11.709030Z",
"updated_at": "2022-09-04T14:36:11.709063Z",
"structure_string": "U1 Si3 Ir1\n1.0\n4.199321 -0.000000 0.000000\n0.000000 4.199321 0.000000\n-2.099660 -2.099660 4.899331\nU Si Ir\n1 3 1\ndirect\n0.997400 0.997400 0.994800 U\n0.413001 0.413001 0.826001 Si\n0.765424 0.265424 0.530850 Si\n0.265424 0.765424 0.530850 Si\n0.652750 0.652750 0.305499 Ir\n",
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},
{
"id": "jvasp-17649",
"created_at": "2022-09-04T14:38:16.985321Z",
"updated_at": "2022-09-04T14:38:16.985340Z",
"structure_string": "U1 Si2 Ir2\n1.0\n3.794573 0.000000 -1.456263\n-0.558877 3.753191 -1.456263\n0.047893 0.055552 5.796672\nU Si Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.617017 0.617018 0.234036 Si\n0.382980 0.382981 0.765964 Si\n0.749999 0.250000 0.500000 Ir\n0.249999 0.749999 0.500000 Ir\n",
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"volume": 83.1687477509173,
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"formula_full": "U1 Si2 Ir2",
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"spacegroup": 139
},
{
"id": "jvasp-57745",
"created_at": "2022-09-04T14:38:27.812100Z",
"updated_at": "2022-09-04T14:38:27.812110Z",
"structure_string": "Y2 Si4 Ir4\n1.0\n4.147530 -0.000000 -0.000000\n0.000000 4.147530 -0.000000\n0.000000 0.000000 9.852355\nY Si Ir\n2 4 4\ndirect\n0.000000 0.500000 0.253749 Y\n0.500000 0.000000 0.746250 Y\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.131002 Si\n0.000000 0.500000 0.868998 Si\n0.500000 0.000000 0.371591 Ir\n0.000000 0.500000 0.628408 Ir\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n",
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],
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"density": 10.37611634065871,
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"volume": 169.4802609658776,
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"formula_full": "Y2 Si4 Ir4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 129
}
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}