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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=934",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=932",
"results": [
{
"id": "jvasp-10081",
"created_at": "2022-09-04T14:38:04.888486Z",
"updated_at": "2022-09-04T14:38:04.888519Z",
"structure_string": "Sr4 Ca4 Si4\n1.0\n4.919385 -0.000000 0.000000\n0.000000 8.047715 0.000000\n0.000000 0.000000 9.076236\nSr Ca Si\n4 4 4\ndirect\n0.250000 0.521532 0.179981 Sr\n0.250000 0.021532 0.320019 Sr\n0.749999 0.978469 0.679981 Sr\n0.749999 0.478468 0.820019 Sr\n0.749999 0.351730 0.425657 Ca\n0.250000 0.148271 0.925658 Ca\n0.749999 0.851730 0.074343 Ca\n0.250000 0.648271 0.574343 Ca\n0.250000 0.767455 0.894598 Si\n0.250000 0.267455 0.605402 Si\n0.749999 0.232545 0.105402 Si\n0.749999 0.732546 0.394598 Si\n",
"nsites": 12,
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"elements": [
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],
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"density": 2.879661004327708,
"density_atomic": 0.033395816466706724,
"volume": 359.32644473487136,
"volume_molar": 18.0326202415313,
"formula_full": "Sr4 Ca4 Si4",
"formula_reduced": "SrCaSi",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-40843",
"created_at": "2022-09-04T14:37:47.485573Z",
"updated_at": "2022-09-04T14:37:47.485600Z",
"structure_string": "Sr1 Ca1 Si1\n1.0\n4.419082 -0.000000 2.551359\n1.473028 4.166351 2.551359\n0.000000 -0.000000 5.102717\nSr Ca Si\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500001 Si\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Ca-Si-Sr",
"density": 2.7534751187105404,
"density_atomic": 0.0319324217579453,
"volume": 93.94840212059869,
"volume_molar": 18.859016724910926,
"formula_full": "Sr1 Ca1 Si1",
"formula_reduced": "SrCaSi",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-99928",
"created_at": "2022-09-04T14:36:52.529667Z",
"updated_at": "2022-09-04T14:36:52.529691Z",
"structure_string": "Sr1 Ca1 S2\n1.0\n4.152177 0.000000 -0.000000\n0.000000 4.152177 0.000000\n-0.000000 -0.000000 5.869476\nSr Ca S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ca",
"S"
],
"chemical_system": "Ca-S-Sr",
"density": 3.147821144502064,
"density_atomic": 0.03952837338875813,
"volume": 101.19313437616941,
"volume_molar": 15.234982478972174,
"formula_full": "Sr1 Ca1 S2",
"formula_reduced": "SrCaS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1761877183333332,
"spacegroup": 123
},
{
"id": "jvasp-114183",
"created_at": "2022-09-04T14:38:39.725553Z",
"updated_at": "2022-09-04T14:38:39.725571Z",
"structure_string": "Sr1 Ca1 S1\n1.0\n5.313147 -0.000000 0.000000\n-2.656573 4.601320 -0.000000\n0.000000 0.000000 3.942673\nSr Ca S\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Sr\n0.000000 0.000000 0.000000 Ca\n0.333334 0.666666 0.000000 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"S"
],
"chemical_system": "Ca-S-Sr",
"density": 2.752328558858389,
"density_atomic": 0.03112405877131957,
"volume": 96.38845698249555,
"volume_molar": 19.348828519593106,
"formula_full": "Sr1 Ca1 S1",
"formula_reduced": "SrCaS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2025169577777777,
"spacegroup": 187
},
{
"id": "jvasp-114184",
"created_at": "2022-09-04T14:38:39.649115Z",
"updated_at": "2022-09-04T14:38:39.649133Z",
"structure_string": "Sr1 Ca1 S1\n1.0\n4.202976 0.000000 0.000000\n0.000000 4.202976 0.000000\n0.000000 0.000000 8.843740\nSr Ca S\n1 1 1\ndirect\n0.000000 0.000000 0.046510 Sr\n0.000000 0.000000 0.476457 Ca\n0.000000 0.000000 0.752204 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"S"
],
"chemical_system": "Ca-S-Sr",
"density": 1.6981479227495948,
"density_atomic": 0.019203105523119345,
"volume": 156.2247312752714,
"volume_molar": 31.360244064428624,
"formula_full": "Sr1 Ca1 S1",
"formula_reduced": "SrCaS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.234420291111111,
"spacegroup": 99
},
{
"id": "jvasp-114186",
"created_at": "2022-09-04T14:38:39.895695Z",
"updated_at": "2022-09-04T14:38:39.895736Z",
"structure_string": "Sr1 Ca1 S1\n1.0\n0.000000 3.772494 3.772494\n3.772494 -0.000000 3.772494\n3.772494 3.772494 -0.000000\nSr Ca S\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Ca",
"S"
],
"chemical_system": "Ca-S-Sr",
"density": 2.4706409514776415,
"density_atomic": 0.02793866085832213,
"volume": 107.37808856383987,
"volume_molar": 21.554865462372998,
"formula_full": "Sr1 Ca1 S1",
"formula_reduced": "SrCaS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.254050291111111,
"spacegroup": 216
},
{
"id": "jvasp-112639",
"created_at": "2022-09-04T14:38:42.354639Z",
"updated_at": "2022-09-04T14:38:42.354672Z",
"structure_string": "Sr2 Ca2 Pb2 O8\n1.0\n3.472213 -0.000000 0.000000\n0.000000 6.039183 0.047416\n-0.000000 0.008256 10.032165\nSr Ca Pb O\n2 2 2 8\ndirect\n0.500000 0.424422 0.184849 Sr\n0.500000 0.575578 0.815151 Sr\n0.500000 0.927458 0.322776 Ca\n0.500000 0.072542 0.677224 Ca\n-0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n-0.000000 0.121486 0.203637 O\n-0.000000 0.878514 0.796363 O\n-0.000000 0.652053 0.306272 O\n-0.000000 0.347947 0.693728 O\n0.500000 0.262287 0.449254 O\n0.500000 0.737713 0.550745 O\n0.500000 0.766488 0.047000 O\n0.500000 0.233513 0.953000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Pb",
"O"
],
"chemical_system": "Ca-O-Pb-Sr",
"density": 6.2974094292829275,
"density_atomic": 0.06655054659344228,
"volume": 210.366416455241,
"volume_molar": 9.048972650501726,
"formula_full": "Sr2 Ca2 Pb2 O8",
"formula_reduced": "SrCaPbO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.114065935714286,
"spacegroup": 10
},
{
"id": "jvasp-106735",
"created_at": "2022-09-04T14:36:51.922826Z",
"updated_at": "2022-09-04T14:36:51.922846Z",
"structure_string": "Sr1 Ca1 Pb6\n1.0\n4.981313 -0.000000 0.000000\n0.000000 4.981313 0.000000\n-0.000000 -0.000000 9.928344\nSr Ca Pb\n1 1 6\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.244090 Pb\n0.500000 0.000000 0.755909 Pb\n-0.000000 0.500000 0.244090 Pb\n-0.000000 0.500000 0.755909 Pb\n0.500000 0.500000 -0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Pb"
],
"chemical_system": "Ca-Pb-Sr",
"density": 9.240378504695478,
"density_atomic": 0.03247323144402274,
"volume": 246.3567573738504,
"volume_molar": 18.54493837603119,
"formula_full": "Sr1 Ca1 Pb6",
"formula_reduced": "SrCaPb6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1885592625,
"spacegroup": 123
},
{
"id": "jvasp-12363",
"created_at": "2022-09-04T14:38:34.515655Z",
"updated_at": "2022-09-04T14:38:34.515672Z",
"structure_string": "Sr4 Ca4 Pb4\n1.0\n5.191215 -0.000000 0.000000\n0.000000 8.433141 0.000000\n0.000000 0.000000 9.623409\nSr Ca Pb\n4 4 4\ndirect\n0.750001 0.979378 0.683178 Sr\n0.250000 0.020622 0.316823 Sr\n0.750001 0.479378 0.816823 Sr\n0.250000 0.520622 0.183178 Sr\n0.750001 0.850118 0.071641 Ca\n0.250000 0.149881 0.928359 Ca\n0.750001 0.350119 0.428359 Ca\n0.250000 0.649881 0.571641 Ca\n0.750001 0.736325 0.392109 Pb\n0.250000 0.263675 0.607891 Pb\n0.750001 0.236325 0.107891 Pb\n0.250000 0.763675 0.892109 Pb\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Pb"
],
"chemical_system": "Ca-Pb-Sr",
"density": 5.280004845477282,
"density_atomic": 0.02848353743880338,
"volume": 421.2959863493743,
"volume_molar": 21.142531095158088,
"formula_full": "Sr4 Ca4 Pb4",
"formula_reduced": "SrCaPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-37300",
"created_at": "2022-09-04T14:35:48.408247Z",
"updated_at": "2022-09-04T14:35:48.408272Z",
"structure_string": "Sr1 Ca1 O3\n1.0\n4.346773 -0.000000 -0.000000\n0.000000 4.346773 -0.000000\n0.000000 0.000000 4.346773\nSr Ca O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Ca",
"O"
],
"chemical_system": "Ca-O-Sr",
"density": 3.5523077531356257,
"density_atomic": 0.0608792259582588,
"volume": 82.12982214044898,
"volume_molar": 9.891946990470965,
"formula_full": "Sr1 Ca1 O3",
"formula_reduced": "SrCaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.9221134459999998,
"spacegroup": 221
},
{
"id": "jvasp-35672",
"created_at": "2022-09-04T14:37:31.449973Z",
"updated_at": "2022-09-04T14:37:31.449994Z",
"structure_string": "Sr1 Ca1 O2\n1.0\n3.544529 0.000000 -0.000000\n0.000000 3.544529 -0.000000\n0.000000 -0.000000 5.007942\nSr Ca O\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ca-O-Sr",
"density": 4.214722183179879,
"density_atomic": 0.06357459951652154,
"volume": 62.918209952081476,
"volume_molar": 9.472557917466688,
"formula_full": "Sr1 Ca1 O2",
"formula_reduced": "SrCaO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1796684325000002,
"spacegroup": 123
},
{
"id": "jvasp-116775",
"created_at": "2022-09-04T14:38:45.162857Z",
"updated_at": "2022-09-04T14:38:45.162879Z",
"structure_string": "Sr2 Ca2 Ni2 P4 O16\n1.0\n5.534365 0.023110 -1.127025\n-1.504257 6.297415 -2.261725\n0.056290 0.017548 9.292460\nSr Ca Ni P O\n2 2 2 4 16\ndirect\n0.271276 0.805053 0.067342 Sr\n0.728723 0.194948 0.932658 Sr\n0.016985 0.422814 0.663515 Ca\n-0.016986 0.577188 0.336485 Ca\n0.645270 0.850512 0.557783 Ni\n0.354729 0.149489 0.442217 Ni\n0.156494 0.968293 0.703161 P\n0.843505 0.031708 0.296839 P\n0.385253 0.418112 0.225413 P\n0.614746 0.581889 0.774587 P\n0.357415 0.199173 0.241974 O\n0.633012 0.962117 0.371072 O\n0.589764 0.408431 0.609461 O\n0.410235 0.591570 0.390539 O\n0.143328 0.432150 0.118979 O\n0.735927 0.002632 0.125948 O\n0.264072 -0.002631 0.874053 O\n0.642584 0.800828 0.758026 O\n0.010837 0.735682 0.596889 O\n0.391646 0.538446 0.840896 O\n0.953485 0.101798 0.693423 O\n0.046514 0.898203 0.306577 O\n0.608353 0.461556 0.159104 O\n0.856671 0.567851 0.881022 O\n0.989162 0.264319 0.403111 O\n0.366987 0.037884 0.628928 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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"Ca",
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"O"
],
"chemical_system": "Ca-Ni-O-P-Sr",
"density": 3.8476397105607587,
"density_atomic": 0.08004146953307095,
"volume": 324.8316173062953,
"volume_molar": 7.523775856603701,
"formula_full": "Sr2 Ca2 Ni2 P4 O16",
"formula_reduced": "SrCaNi(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy_above_hull": 2.189735240769231,
"spacegroup": 2
}
]
}