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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1075",
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"results": [
{
"id": "jvasp-15032",
"created_at": "2022-09-04T14:36:43.893598Z",
"updated_at": "2022-09-04T14:36:43.893620Z",
"structure_string": "Tb2 Ir4\n1.0\n4.647542 0.000000 2.683259\n1.549180 4.381744 2.683259\n-0.000000 0.000000 5.366519\nTb Ir\n2 4\ndirect\n0.125000 0.125000 0.125000 Tb\n0.875000 0.874999 0.875001 Tb\n0.000000 0.499999 0.500000 Ir\n0.500000 -0.000000 0.500000 Ir\n0.500000 0.499999 0.000000 Ir\n0.500000 0.499999 0.500000 Ir\n",
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"volume": 109.28561363233159,
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"formula_full": "Tb2 Ir4",
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{
"id": "jvasp-101021",
"created_at": "2022-09-04T14:37:09.314404Z",
"updated_at": "2022-09-04T14:37:09.314424Z",
"structure_string": "Ta2 V1 Ir1\n1.0\n3.881764 -0.000000 2.241137\n1.293921 3.659762 2.241137\n-0.000000 -0.000000 4.482275\nTa V Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.749999 0.750000 0.750001 Ta\n0.000000 0.000000 0.000000 V\n0.499999 0.500000 0.500000 Ir\n",
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"elements": [
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"formula_full": "Ta2 V1 Ir1",
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{
"id": "jvasp-4894",
"created_at": "2022-09-04T14:37:37.535906Z",
"updated_at": "2022-09-04T14:37:37.535928Z",
"structure_string": "Ta4 Te16 Ir4\n1.0\n3.842058 0.000000 0.000000\n0.000000 12.618295 0.000000\n0.000000 0.000000 13.471993\nTa Te Ir\n4 16 4\ndirect\n0.000000 0.553611 0.003880 Ta\n0.500000 0.446388 0.503880 Ta\n0.000000 0.771385 0.491445 Ta\n0.500000 0.228615 0.991445 Ta\n0.500000 0.085307 0.137254 Te\n0.000000 0.914693 0.637254 Te\n0.500000 0.155825 0.595322 Te\n0.000000 0.844175 0.095322 Te\n0.500000 0.307282 0.354501 Te\n0.000000 0.692717 0.854501 Te\n0.500000 0.434563 0.891567 Te\n0.000000 0.565437 0.391567 Te\n0.000000 0.064960 0.395875 Te\n0.500000 0.935039 0.895875 Te\n0.000000 0.177775 0.849311 Te\n0.500000 0.822225 0.349311 Te\n0.000000 0.347207 0.105964 Te\n0.500000 0.652792 0.605964 Te\n0.000000 0.395774 0.646134 Te\n0.500000 0.604225 0.146135 Te\n0.000000 0.034250 -0.000185 Ir\n0.500000 0.965749 0.499815 Ir\n0.000000 0.255205 0.491989 Ir\n0.500000 0.744795 0.991989 Ir\n",
"nsites": 24,
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"elements": [
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"Te",
"Ir"
],
"chemical_system": "Ir-Ta-Te",
"density": 8.985682978518373,
"density_atomic": 0.0367464001557468,
"volume": 653.1252013334051,
"volume_molar": 16.38838290138794,
"formula_full": "Ta4 Te16 Ir4",
"formula_reduced": "TaTe4Ir",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.714500227777778,
"spacegroup": 31
},
{
"id": "jvasp-107696",
"created_at": "2022-09-04T14:36:55.824430Z",
"updated_at": "2022-09-04T14:36:55.824455Z",
"structure_string": "Ta3 Ir1\n1.0\n3.967850 -0.000000 2.290839\n1.322617 3.740925 2.290839\n-0.000000 -0.000000 4.581679\nTa Ir\n3 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750001 0.749999 0.750000 Ta\n0.500001 0.499999 0.500000 Ta\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
"Ta",
"Ir"
],
"chemical_system": "Ir-Ta",
"density": 17.947888390589558,
"density_atomic": 0.05881675844880059,
"volume": 68.00782813425464,
"volume_molar": 10.238817845159241,
"formula_full": "Ta3 Ir1",
"formula_reduced": "Ta3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 6.095672174999999,
"spacegroup": 225
},
{
"id": "jvasp-14886",
"created_at": "2022-09-04T14:36:05.332238Z",
"updated_at": "2022-09-04T14:36:05.332257Z",
"structure_string": "Ta1 Ir3\n1.0\n3.930607 -0.000000 0.000000\n-0.000000 3.930607 0.000000\n0.000000 -0.000000 3.930607\nTa Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ir-Ta",
"density": 20.71617407483535,
"density_atomic": 0.06586900779496092,
"volume": 60.72658650713737,
"volume_molar": 9.14260129550745,
"formula_full": "Ta1 Ir3",
"formula_reduced": "TaIr3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.965253124999999,
"spacegroup": 221
},
{
"id": "jvasp-54994",
"created_at": "2022-09-04T14:37:13.130476Z",
"updated_at": "2022-09-04T14:37:13.130501Z",
"structure_string": "Ta6 Ir6\n1.0\n2.876672 0.000000 0.000000\n0.000000 4.864909 -0.000000\n0.000000 0.000000 13.854963\nTa Ir\n6 6\ndirect\n0.000000 0.950072 0.750000 Ta\n0.000000 0.325985 0.914714 Ta\n0.000000 0.674015 0.414714 Ta\n0.000000 0.674015 0.085286 Ta\n0.000000 0.049928 0.250000 Ta\n0.000000 0.325985 0.585286 Ta\n0.500000 0.458003 0.750000 Ir\n0.500000 0.541998 0.250000 Ir\n0.500000 0.824205 0.917708 Ir\n0.500000 0.824205 0.582292 Ir\n0.500000 0.175796 0.082292 Ir\n0.500000 0.175796 0.417708 Ir\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ta",
"Ir"
],
"chemical_system": "Ir-Ta",
"density": 19.174792554554106,
"density_atomic": 0.061888621376818685,
"volume": 193.89670884630144,
"volume_molar": 9.730610613109704,
"formula_full": "Ta6 Ir6",
"formula_reduced": "TaIr",
"formula_anonymous": "AB",
"energy_above_hull": 3.4684801499999995,
"spacegroup": 51
},
{
"id": "jvasp-10264",
"created_at": "2022-09-04T14:38:33.285090Z",
"updated_at": "2022-09-04T14:38:33.285118Z",
"structure_string": "Sb4 Ir4 S4\n1.0\n6.119374 0.000000 -0.000000\n0.000000 6.119374 0.000000\n-0.000000 -0.000000 6.119374\nSb Ir S\n4 4 4\ndirect\n0.376699 0.376699 0.376699 Sb\n0.123301 0.623301 0.876698 Sb\n0.876698 0.123301 0.623301 Sb\n0.623301 0.876698 0.123301 Sb\n0.987465 0.512533 0.487466 Ir\n0.512533 0.487466 0.987465 Ir\n0.487466 0.987465 0.512533 Ir\n0.012534 0.012534 0.012534 Ir\n0.383312 0.116688 0.883312 S\n0.116688 0.883312 0.383312 S\n0.883312 0.383312 0.116688 S\n0.616687 0.616687 0.616687 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Ir",
"S"
],
"chemical_system": "Ir-S-Sb",
"density": 10.030369026091162,
"density_atomic": 0.05236730874062065,
"volume": 229.15059583139802,
"volume_molar": 11.499809527787901,
"formula_full": "Sb4 Ir4 S4",
"formula_reduced": "SbIrS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.235549066666666,
"spacegroup": 198
},
{
"id": "jvasp-87331",
"created_at": "2022-09-04T14:35:54.864760Z",
"updated_at": "2022-09-04T14:35:54.864790Z",
"structure_string": "Sb4 Ir4 S4\n1.0\n6.126271 0.000000 0.000000\n0.000000 6.109322 0.000000\n0.000000 0.000000 6.128390\nSb Ir S\n4 4 4\ndirect\n0.379572 0.634027 0.382003 Sb\n0.620427 0.365972 0.882003 Sb\n0.120428 0.634027 0.882003 Sb\n0.879572 0.365972 0.382003 Sb\n0.510151 0.766095 0.999456 Ir\n0.489849 0.233905 0.499456 Ir\n0.989849 0.766095 0.499456 Ir\n0.010151 0.233905 0.999456 Ir\n0.118351 0.126283 0.620742 S\n0.881649 0.873717 0.120742 S\n0.381649 0.126283 0.120742 S\n0.618351 0.873717 0.620742 S\n",
"nsites": 12,
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"elements": [
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"S"
],
"chemical_system": "Ir-S-Sb",
"density": 10.020797521436938,
"density_atomic": 0.05231733710567521,
"volume": 229.3694722222068,
"volume_molar": 11.510793731408663,
"formula_full": "Sb4 Ir4 S4",
"formula_reduced": "SbIrS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.2374524,
"spacegroup": 29
},
{
"id": "jvasp-78502",
"created_at": "2022-09-04T14:37:10.141969Z",
"updated_at": "2022-09-04T14:37:10.141988Z",
"structure_string": "Sr2 Ir1\n1.0\n-3.609578 -3.609578 -0.000000\n-3.609578 0.000000 -3.609578\n0.000000 -3.609578 -3.609578\nSr Ir\n2 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Ir-Sr",
"density": 6.487185756392199,
"density_atomic": 0.03189495296709127,
"volume": 94.05876857994913,
"volume_molar": 18.881171470023965,
"formula_full": "Sr2 Ir1",
"formula_reduced": "Sr2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 0.95030124,
"spacegroup": 225
},
{
"id": "jvasp-14654",
"created_at": "2022-09-04T14:36:58.690379Z",
"updated_at": "2022-09-04T14:36:58.690401Z",
"structure_string": "Sr2 Ir4\n1.0\n4.746315 0.000000 2.740286\n1.582105 4.474868 2.740286\n0.000000 0.000000 5.480572\nSr Ir\n2 4\ndirect\n0.125000 0.125000 0.125000 Sr\n0.874998 0.875000 0.875002 Sr\n-0.000001 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.499999 0.500000 0.000001 Ir\n0.499999 0.500000 0.500001 Ir\n",
"nsites": 6,
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"density": 13.468154842457464,
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"volume": 116.40259823472134,
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"formula_full": "Sr2 Ir4",
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"formula_anonymous": "AB2",
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"spacegroup": 227
},
{
"id": "jvasp-54345",
"created_at": "2022-09-04T14:37:30.294496Z",
"updated_at": "2022-09-04T14:37:30.294515Z",
"structure_string": "Zr6 Sn6 Ir6\n1.0\n3.693433 -6.397214 -0.000000\n3.693433 6.397214 0.000000\n-0.000000 0.000000 7.425693\nZr Sn Ir\n6 6 6\ndirect\n0.980423 0.385243 0.250000 Zr\n0.385243 0.980423 0.750000 Zr\n0.404820 0.019576 0.250000 Zr\n0.614756 0.595179 0.250000 Zr\n0.595179 0.614756 0.750000 Zr\n0.019576 0.404820 0.750000 Zr\n0.270867 0.270867 0.000000 Sn\n-0.000000 0.729132 0.500000 Sn\n0.270867 0.270867 0.500000 Sn\n-0.000000 0.729132 0.000000 Sn\n0.729132 -0.000000 0.000000 Sn\n0.729132 -0.000000 0.500000 Sn\n0.666666 0.333333 0.537934 Ir\n0.666666 0.333333 0.962065 Ir\n0.333333 0.666666 0.037934 Ir\n0.333333 0.666666 0.462065 Ir\n0.000000 0.000000 0.750000 Ir\n0.000000 0.000000 0.250000 Ir\n",
"nsites": 18,
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"elements": [
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"density": 11.41829898506971,
"density_atomic": 0.051296107992981115,
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"formula_full": "Zr6 Sn6 Ir6",
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"spacegroup": 190
},
{
"id": "jvasp-17882",
"created_at": "2022-09-04T14:38:14.100673Z",
"updated_at": "2022-09-04T14:38:14.100695Z",
"structure_string": "Zr3 Sn3 Ir3\n1.0\n3.681477 -6.376506 0.000000\n3.681477 6.376506 0.000000\n-0.000000 0.000000 3.749043\nZr Sn Ir\n3 3 3\ndirect\n0.395071 0.395071 0.500000 Zr\n0.604930 0.000000 0.500000 Zr\n0.000000 0.604930 0.500000 Zr\n0.000000 0.267547 0.000000 Sn\n0.267547 0.000000 0.000000 Sn\n0.732454 0.732454 0.000000 Sn\n0.666667 0.333333 0.000000 Ir\n0.333333 0.666667 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
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"formula_full": "Zr3 Sn3 Ir3",
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"spacegroup": 189
}
]
}