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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3562",
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"results": [
{
"id": "jvasp-107698",
"created_at": "2022-09-04T14:36:58.830085Z",
"updated_at": "2022-09-04T14:36:58.830106Z",
"structure_string": "Tb1 Pm1 Ir2\n1.0\n4.261244 0.000000 2.460231\n1.420415 4.017540 2.460231\n-0.000000 -0.000000 4.920461\nTb Pm Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.499999 0.500000 0.500000 Pm\n0.249999 0.250000 0.250000 Ir\n0.749998 0.750000 0.750000 Ir\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ir-Pm-Tb",
"density": 13.569439442888557,
"density_atomic": 0.04748512496422722,
"volume": 84.23690583131851,
"volume_molar": 12.682162602576621,
"formula_full": "Tb1 Pm1 Ir2",
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"formula_anonymous": "ABC2",
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{
"id": "jvasp-99836",
"created_at": "2022-09-04T14:36:36.410440Z",
"updated_at": "2022-09-04T14:36:36.410465Z",
"structure_string": "Pm1 Y1 Ir2\n1.0\n4.253761 0.000000 2.455910\n1.417920 4.010485 2.455910\n-0.000000 -0.000000 4.911820\nPm Y Ir\n1 1 2\ndirect\n0.500000 0.499999 0.500000 Pm\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Ir\n0.750000 0.749999 0.750000 Ir\n",
"nsites": 4,
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"elements": [
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"Y",
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],
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"density": 12.253605917997595,
"density_atomic": 0.04773616947460319,
"volume": 83.79390395218238,
"volume_molar": 12.615467110749064,
"formula_full": "Pm1 Y1 Ir2",
"formula_reduced": "PmYIr2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-42017",
"created_at": "2022-09-04T14:37:32.116091Z",
"updated_at": "2022-09-04T14:37:32.116112Z",
"structure_string": "Pm2 Zn1 Ir1\n1.0\n-0.000000 3.566199 3.566199\n3.566199 -0.000000 3.566199\n3.566199 3.566199 0.000000\nPm Zn Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Pm\n0.750001 0.750001 0.750001 Zn\n0.250001 0.250001 0.250001 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zn",
"Ir"
],
"chemical_system": "Ir-Pm-Zn",
"density": 10.025047507515126,
"density_atomic": 0.04409742944038932,
"volume": 90.70823516838276,
"volume_molar": 13.656444006879582,
"formula_full": "Pm2 Zn1 Ir1",
"formula_reduced": "Pm2ZnIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4045784624999995,
"spacegroup": 225
},
{
"id": "jvasp-16875",
"created_at": "2022-09-04T14:38:27.017929Z",
"updated_at": "2022-09-04T14:38:27.017937Z",
"structure_string": "Pr2 P2 Ir2\n1.0\n3.998388 0.000000 -1.100979\n-0.303161 3.986879 -1.100979\n-0.021844 -0.023568 7.731567\nPr P Ir\n2 2 2\ndirect\n0.750507 0.250506 0.501012 Pr\n0.000506 0.000506 0.001012 Pr\n0.329964 0.829963 0.659926 P\n0.579964 0.579964 0.159926 P\n0.412552 0.412550 0.825101 Ir\n0.162551 0.662550 0.325101 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"P",
"Ir"
],
"chemical_system": "Ir-P-Pr",
"density": 9.827524744432216,
"density_atomic": 0.0487637974266744,
"volume": 123.04209919299528,
"volume_molar": 12.349614012435,
"formula_full": "Pr2 P2 Ir2",
"formula_reduced": "PrPIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3630488166666668,
"spacegroup": 109
},
{
"id": "jvasp-19908",
"created_at": "2022-09-04T14:36:16.756838Z",
"updated_at": "2022-09-04T14:36:16.756859Z",
"structure_string": "Pr2 Ir4\n1.0\n4.732039 -0.000000 2.732044\n1.577346 4.461409 2.732044\n0.000000 0.000000 5.464087\nPr Ir\n2 4\ndirect\n0.125000 0.125000 0.125000 Pr\n0.875001 0.875000 0.874999 Pr\n0.000000 0.500000 0.500000 Ir\n0.500000 -0.000000 0.500000 Ir\n0.500000 0.500000 -0.000001 Ir\n0.500000 0.500000 0.499999 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"Ir"
],
"chemical_system": "Ir-Pr",
"density": 15.124567586178518,
"density_atomic": 0.05201316608129768,
"volume": 115.35540810228457,
"volume_molar": 11.578108416986701,
"formula_full": "Pr2 Ir4",
"formula_reduced": "PrIr2",
"formula_anonymous": "AB2",
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"spacegroup": 227
},
{
"id": "jvasp-99574",
"created_at": "2022-09-04T14:36:22.351146Z",
"updated_at": "2022-09-04T14:36:22.351164Z",
"structure_string": "Rb1 P2 Ir2\n1.0\n3.786906 -0.046780 -6.285518\n-0.332582 3.772563 -6.285518\n0.043372 0.046780 7.338018\nRb P Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.345634 0.345633 0.000000 P\n0.654368 0.654366 0.000000 P\n0.750001 0.250000 0.500000 Ir\n0.250000 0.749999 0.500000 Ir\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"P",
"Ir"
],
"chemical_system": "Ir-P-Rb",
"density": 8.25597904047783,
"density_atomic": 0.0467413096782924,
"volume": 106.97175655568118,
"volume_molar": 12.883979506455297,
"formula_full": "Rb1 P2 Ir2",
"formula_reduced": "Rb(PIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.91033664,
"spacegroup": 139
},
{
"id": "jvasp-110844",
"created_at": "2022-09-04T14:38:38.880446Z",
"updated_at": "2022-09-04T14:38:38.880470Z",
"structure_string": "Pr1 Sm1 Ir2\n1.0\n4.332028 -0.000000 2.501097\n1.444009 4.084275 2.501097\n-0.000000 -0.000000 5.002195\nPr Sm Ir\n1 1 2\ndirect\n0.500001 0.499999 0.500000 Pr\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Ir\n0.750001 0.749999 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Sm",
"Ir"
],
"chemical_system": "Ir-Pr-Sm",
"density": 12.677605345652227,
"density_atomic": 0.045195286362038525,
"volume": 88.50480485858306,
"volume_molar": 13.324709819867977,
"formula_full": "Pr1 Sm1 Ir2",
"formula_reduced": "PrSmIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.93705273125,
"spacegroup": 225
},
{
"id": "jvasp-103348",
"created_at": "2022-09-04T14:36:42.881085Z",
"updated_at": "2022-09-04T14:36:42.881116Z",
"structure_string": "Pr3 Sn3 Ir3\n1.0\n7.538915 0.000000 0.000000\n-3.769457 6.528893 -0.000000\n-0.000000 0.000000 4.197459\nPr Sn Ir\n3 3 3\ndirect\n0.588277 -0.000000 0.000000 Pr\n-0.000000 0.588277 0.000000 Pr\n0.411723 0.411723 0.000000 Pr\n0.250572 -0.000000 0.500000 Sn\n-0.000000 0.250572 0.500000 Sn\n0.749428 0.749428 0.500000 Sn\n0.333333 0.666667 0.500000 Ir\n0.666667 0.333333 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 9,
"nelements": 3,
"elements": [
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"Sn",
"Ir"
],
"chemical_system": "Ir-Pr-Sn",
"density": 10.894693689704985,
"density_atomic": 0.043561983764963834,
"volume": 206.60216138362708,
"volume_molar": 13.824303301915984,
"formula_full": "Pr3 Sn3 Ir3",
"formula_reduced": "PrSnIr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7230375499999997,
"spacegroup": 189
},
{
"id": "jvasp-42860",
"created_at": "2022-09-04T14:37:08.251048Z",
"updated_at": "2022-09-04T14:37:08.251074Z",
"structure_string": "Pr2 Zn1 Ir1\n1.0\n0.000000 3.625590 3.625590\n3.625590 -0.000000 3.625590\n3.625590 3.625590 0.000000\nPr Zn Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Pr\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
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"elements": [
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"Zn",
"Ir"
],
"chemical_system": "Ir-Pr-Zn",
"density": 9.397822197222105,
"density_atomic": 0.04196564714543142,
"volume": 95.31605663408575,
"volume_molar": 14.350167743464906,
"formula_full": "Pr2 Zn1 Ir1",
"formula_reduced": "Pr2ZnIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4738503,
"spacegroup": 225
},
{
"id": "jvasp-90058",
"created_at": "2022-09-04T14:35:56.795827Z",
"updated_at": "2022-09-04T14:35:56.795846Z",
"structure_string": "Sc3 P3 Ir3\n1.0\n0.000000 0.000000 -3.927561\n-3.192660 -5.529849 0.000000\n-3.192641 5.529838 0.000000\nSc P Ir\n3 3 3\ndirect\n0.500000 0.581753 -0.000000 Sc\n0.500000 0.418271 0.418260 Sc\n0.500000 0.000010 0.581740 Sc\n0.000000 0.666677 0.333332 P\n0.000000 0.333344 0.666668 P\n0.500000 0.000010 -0.000000 P\n0.000000 0.250462 -0.000000 Ir\n0.000000 0.749560 0.749548 Ir\n0.000000 0.000012 0.250452 Ir\n",
"nsites": 9,
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"elements": [
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"P",
"Ir"
],
"chemical_system": "Ir-P-Sc",
"density": 9.632202687524224,
"density_atomic": 0.06489710974356554,
"volume": 138.68106045958908,
"volume_molar": 9.27952074259684,
"formula_full": "Sc3 P3 Ir3",
"formula_reduced": "ScPIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.620880616666666,
"spacegroup": 189
},
{
"id": "jvasp-110511",
"created_at": "2022-09-04T14:38:39.240733Z",
"updated_at": "2022-09-04T14:38:39.240743Z",
"structure_string": "Si2 P4 Ir1\n1.0\n4.691424 0.003907 1.596340\n-1.146115 4.549275 1.596340\n0.007531 0.009671 5.611640\nSi P Ir\n2 4 1\ndirect\n0.587538 0.587539 0.137725 Si\n0.412460 0.412460 0.862276 Si\n0.711744 0.160580 0.343314 P\n0.839419 0.288255 0.656687 P\n0.160579 0.711744 0.343314 P\n0.288254 0.839419 0.656687 P\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 7,
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"elements": [
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],
"chemical_system": "Ir-P-Si",
"density": 5.166777061096308,
"density_atomic": 0.05850532609733455,
"volume": 119.64722644830988,
"volume_molar": 10.293320560218815,
"formula_full": "Si2 P4 Ir1",
"formula_reduced": "Si2P4Ir",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.679350042857143,
"spacegroup": 12
},
{
"id": "jvasp-101122",
"created_at": "2022-09-04T14:36:42.006244Z",
"updated_at": "2022-09-04T14:36:42.006257Z",
"structure_string": "Si3 P3 Ir1\n1.0\n4.700803 0.003103 -1.528420\n-0.996696 4.591905 -1.597064\n-0.004395 -0.002425 5.539664\nSi P Ir\n3 3 1\ndirect\n0.412953 0.401714 0.637594 Si\n0.594365 0.590725 0.366178 Si\n0.288854 0.841193 0.841352 Si\n0.160116 0.707786 0.154890 P\n0.845652 0.293634 0.850351 P\n0.705474 0.161029 0.148884 P\n0.998382 0.998117 0.500752 Ir\n",
"nsites": 7,
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"Ir"
],
"chemical_system": "Ir-P-Si",
"density": 5.131221606343938,
"density_atomic": 0.05855701806355394,
"volume": 119.54160630930113,
"volume_molar": 10.284233998158792,
"formula_full": "Si3 P3 Ir1",
"formula_reduced": "Si3P3Ir",
"formula_anonymous": "AB3C3",
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"spacegroup": 1
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}