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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=887",
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"results": [
{
"id": "jvasp-119693",
"created_at": "2022-09-04T14:38:53.284933Z",
"updated_at": "2022-09-04T14:38:53.284960Z",
"structure_string": "Sr4 Mn2 Ga2 O10\n1.0\n5.239030 0.003010 -1.626017\n-0.587793 5.201757 -1.639315\n-0.038508 -0.020102 9.006656\nSr Mn Ga O\n4 2 2 10\ndirect\n0.877582 0.403162 0.780750 Sr\n0.122420 0.596840 0.219250 Sr\n0.403167 0.877588 0.780750 Sr\n0.596835 0.122414 0.219250 Sr\n0.000001 -0.000000 -0.000000 Mn\n0.499999 0.500000 -0.000002 Mn\n0.183089 0.183130 0.500007 Ga\n0.816909 0.816871 0.499992 Ga\n0.620695 0.620660 0.287599 O\n0.379303 0.379340 0.712403 O\n0.171484 0.828545 0.500000 O\n0.828514 0.171456 0.500000 O\n0.243461 0.243463 0.986922 O\n0.250008 0.750012 0.000014 O\n0.756540 0.756536 0.013077 O\n0.833070 0.833036 0.712380 O\n0.749994 0.249990 0.999985 O\n0.166929 0.166965 0.287621 O\n",
"nsites": 18,
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"elements": [
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],
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"density_atomic": 0.07348456430886478,
"volume": 244.9494008611626,
"volume_molar": 8.195109839242146,
"formula_full": "Sr4 Mn2 Ga2 O10",
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"formula_anonymous": "ABC2D5",
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"spacegroup": 69
},
{
"id": "jvasp-116800",
"created_at": "2022-09-04T14:38:43.232886Z",
"updated_at": "2022-09-04T14:38:43.232908Z",
"structure_string": "Sr4 Mn2 Cu4 S4 O4\n1.0\n5.347297 0.000051 1.770960\n-0.000019 5.632832 -0.000130\n-0.155569 0.000122 9.426596\nSr Mn Cu S O\n4 2 4 4 4\ndirect\n0.406263 0.000004 0.187494 Sr\n0.906263 0.500003 0.187495 Sr\n0.093734 0.499997 0.812516 Sr\n0.593734 -0.000003 0.812516 Sr\n0.499995 0.499999 0.000015 Mn\n0.999995 -0.000001 0.000013 Mn\n0.500019 0.749997 0.499990 Cu\n0.000020 0.249998 0.499990 Cu\n0.499979 0.250002 0.500000 Cu\n0.999981 0.750000 0.500000 Cu\n0.170881 0.999989 0.658260 S\n0.670882 0.499989 0.658259 S\n0.329129 0.500008 0.341719 S\n0.829129 0.000008 0.341720 S\n0.749999 0.750001 0.000004 O\n0.249999 0.750001 0.000004 O\n0.749999 0.250002 0.000004 O\n0.249999 0.250002 0.000004 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
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"Mn",
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"O"
],
"chemical_system": "Cu-Mn-O-S-Sr",
"density": 5.274438832904756,
"density_atomic": 0.06305060566147976,
"volume": 285.4849657851415,
"volume_molar": 9.551281382343923,
"formula_full": "Sr4 Mn2 Cu4 S4 O4",
"formula_reduced": "Sr2MnCu2(SO)2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 1.2495175290421454,
"spacegroup": 139
},
{
"id": "jvasp-112641",
"created_at": "2022-09-04T14:38:42.980896Z",
"updated_at": "2022-09-04T14:38:42.980924Z",
"structure_string": "Sr4 Mn2 Cu3 Se4 O4\n1.0\n9.428365 -0.026546 0.000000\n-7.664692 5.490653 0.000000\n-0.000000 -0.000000 5.741074\nSr Mn Cu Se O\n4 2 3 4 4\ndirect\n0.406302 0.096346 0.748847 Sr\n0.903653 0.593697 0.251152 Sr\n0.096346 0.406301 0.251152 Sr\n0.593698 0.903652 0.748847 Sr\n0.500000 -0.000000 0.250270 Mn\n-0.000000 0.500000 0.749729 Mn\n0.500000 0.499999 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.499999 0.500000 Cu\n0.165012 0.329059 0.753044 Se\n0.670940 0.834987 0.246956 Se\n0.329059 0.165012 0.246956 Se\n0.834988 0.670940 0.753044 Se\n0.751369 0.248630 0.500000 O\n0.248630 0.751369 0.500000 O\n0.749721 0.250278 -0.000000 O\n0.250278 0.749721 -0.000000 O\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Cu",
"Se",
"O"
],
"chemical_system": "Cu-Mn-O-Se-Sr",
"density": 5.782206934343088,
"density_atomic": 0.05742562001170393,
"volume": 296.03511458013384,
"volume_molar": 10.486853705319378,
"formula_full": "Sr4 Mn2 Cu3 Se4 O4",
"formula_reduced": "Sr4Mn2Cu3(SeO)4",
"formula_anonymous": "A2B3C4D4E4",
"energy_above_hull": 1.3838393258485464,
"spacegroup": 21
},
{
"id": "jvasp-11046",
"created_at": "2022-09-04T14:37:19.707826Z",
"updated_at": "2022-09-04T14:37:19.707836Z",
"structure_string": "Sr4 Mn2 Cu2 S2 O6\n1.0\n3.877164 0.000000 -0.000000\n-0.000000 3.877164 -0.000000\n0.000000 0.000000 15.832524\nSr Mn Cu S O\n4 2 2 2 6\ndirect\n0.500000 0.000000 0.184270 Sr\n0.000000 0.500000 0.815730 Sr\n0.500000 0.000000 0.413700 Sr\n0.000000 0.500000 0.586300 Sr\n0.000000 0.500000 0.305932 Mn\n0.500000 0.000000 0.694068 Mn\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.092040 S\n0.500000 0.000000 0.907960 S\n0.500000 0.500000 0.288580 O\n0.000000 0.000000 0.288580 O\n0.000000 0.000000 0.711420 O\n0.500000 0.500000 0.711420 O\n0.000000 0.500000 0.430437 O\n0.500000 0.000000 0.569563 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
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"S",
"O"
],
"chemical_system": "Cu-Mn-O-S-Sr",
"density": 5.215849750362551,
"density_atomic": 0.0672266521893736,
"volume": 238.0008445895673,
"volume_molar": 8.957966169482866,
"formula_full": "Sr4 Mn2 Cu2 S2 O6",
"formula_reduced": "Sr2MnCuSO3",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 1.453163851422414,
"spacegroup": 129
},
{
"id": "jvasp-119290",
"created_at": "2022-09-04T14:38:48.790093Z",
"updated_at": "2022-09-04T14:38:48.790132Z",
"structure_string": "Sr4 Mn2 Cu2 S2 O6\n1.0\n3.871816 -0.000000 0.000000\n0.000000 3.871816 0.000000\n-0.000000 -0.000000 15.805256\nSr Mn Cu S O\n4 2 2 2 6\ndirect\n-0.000000 0.500000 0.184118 Sr\n0.500000 0.000000 0.815882 Sr\n-0.000000 0.500000 0.413685 Sr\n0.500000 0.000000 0.586316 Sr\n0.500000 0.000000 0.305826 Mn\n-0.000000 0.500000 0.694175 Mn\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.500000 0.000000 0.092106 S\n-0.000000 0.500000 0.907895 S\n0.000000 0.000000 0.288499 O\n0.500000 0.500000 0.288499 O\n0.500000 0.500000 0.711501 O\n0.000000 0.000000 0.711501 O\n0.500000 0.000000 0.430423 O\n-0.000000 0.500000 0.569577 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
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"Mn",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-Mn-O-S-Sr",
"density": 5.239292147491067,
"density_atomic": 0.06752879928978316,
"volume": 236.93594685935335,
"volume_molar": 8.917885144318163,
"formula_full": "Sr4 Mn2 Cu2 S2 O6",
"formula_reduced": "Sr2MnCuSO3",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 1.4510651014224138,
"spacegroup": 129
},
{
"id": "jvasp-57240",
"created_at": "2022-09-04T14:36:53.893603Z",
"updated_at": "2022-09-04T14:36:53.893629Z",
"structure_string": "Sr4 Mn2 Cl2 O6\n1.0\n3.899810 0.000000 0.000000\n0.000000 3.899810 0.000000\n0.000000 0.000000 14.507094\nSr Mn Cl O\n4 2 2 6\ndirect\n0.000000 0.500000 0.094316 Sr\n0.500000 0.000000 0.905684 Sr\n0.000000 0.500000 0.344298 Sr\n0.500000 0.000000 0.655702 Sr\n0.500000 0.000000 0.210568 Mn\n0.000000 0.500000 0.789432 Mn\n0.500000 0.000000 0.426027 Cl\n0.000000 0.500000 0.573973 Cl\n0.500000 0.500000 0.229960 O\n0.000000 0.000000 0.229960 O\n0.000000 0.000000 0.770040 O\n0.500000 0.500000 0.770040 O\n0.500000 0.000000 0.075398 O\n0.000000 0.500000 0.924602 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Cl",
"O"
],
"chemical_system": "Cl-Mn-O-Sr",
"density": 4.720938288742864,
"density_atomic": 0.06345424972322186,
"volume": 220.6314007503981,
"volume_molar": 9.490523938534762,
"formula_full": "Sr4 Mn2 Cl2 O6",
"formula_reduced": "Sr2MnClO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.3270606326970449,
"spacegroup": 129
},
{
"id": "jvasp-113184",
"created_at": "2022-09-04T14:38:46.190741Z",
"updated_at": "2022-09-04T14:38:46.190758Z",
"structure_string": "Sr4 Mn2 Cl2 O6\n1.0\n3.896024 0.000318 0.000000\n-0.000306 3.896024 -0.000002\n-0.000007 0.000001 14.507037\nSr Mn Cl O\n4 2 2 6\ndirect\n0.250000 0.250000 0.094243 Sr\n0.749998 0.749999 0.905757 Sr\n0.250000 0.250000 0.344117 Sr\n0.749997 0.749999 0.655884 Sr\n0.749999 0.750000 0.210432 Mn\n0.249999 0.249999 0.789566 Mn\n0.749998 0.750000 0.426064 Cl\n0.249998 0.249999 0.573936 Cl\n0.749999 0.250000 0.229842 O\n0.249999 0.750000 0.229842 O\n0.249998 0.749999 0.770159 O\n0.749998 0.250000 0.770158 O\n0.749998 0.750000 0.075355 O\n0.249999 0.249999 0.924647 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Cl",
"O"
],
"chemical_system": "Cl-Mn-O-Sr",
"density": 4.73013653901942,
"density_atomic": 0.06357788363545856,
"volume": 220.20235968018193,
"volume_molar": 9.472068611987172,
"formula_full": "Sr4 Mn2 Cl2 O6",
"formula_reduced": "Sr2MnClO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.3245334898399015,
"spacegroup": 129
},
{
"id": "jvasp-113056",
"created_at": "2022-09-04T14:38:46.409790Z",
"updated_at": "2022-09-04T14:38:46.409808Z",
"structure_string": "Sr4 Mn1 Ru1 O8\n1.0\n3.801052 -0.000000 0.000000\n0.000000 3.801052 0.000000\n-0.000000 -0.000000 12.832861\nSr Mn Ru O\n4 1 1 8\ndirect\n0.500000 0.500000 0.141505 Sr\n0.000000 0.000000 0.653193 Sr\n0.000000 0.000000 0.346807 Sr\n0.500000 0.500000 0.858495 Sr\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.000000 -0.000000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.336429 O\n0.000000 0.000000 0.842905 O\n0.000000 0.000000 0.157095 O\n0.500000 0.500000 0.663570 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Mn",
"Ru",
"O"
],
"chemical_system": "Mn-O-Ru-Sr",
"density": 5.682482976439657,
"density_atomic": 0.07550868787267828,
"volume": 185.4091283324458,
"volume_molar": 7.975427635763518,
"formula_full": "Sr4 Mn1 Ru1 O8",
"formula_reduced": "Sr4MnRuO8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.0972036415270936,
"spacegroup": 123
},
{
"id": "jvasp-20781",
"created_at": "2022-09-04T14:38:34.575778Z",
"updated_at": "2022-09-04T14:38:34.575803Z",
"structure_string": "Sr4 Mg8\n1.0\n3.218751 -5.575041 -0.000000\n3.218751 5.575041 0.000000\n-0.000000 0.000000 10.358802\nSr Mg\n4 8\ndirect\n0.333333 0.666667 0.939591 Sr\n0.333333 0.666667 0.560409 Sr\n0.666667 0.333333 0.060409 Sr\n0.666667 0.333333 0.439591 Sr\n0.832960 0.167040 0.750000 Mg\n0.665920 0.832960 0.250000 Mg\n0.334080 0.167040 0.750000 Mg\n0.832960 0.665920 0.750000 Mg\n0.167040 0.334080 0.250000 Mg\n0.167040 0.832960 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 12,
"nelements": 2,
"elements": [
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],
"chemical_system": "Mg-Sr",
"density": 2.4339232026030513,
"density_atomic": 0.03227797430119107,
"volume": 371.77054198091963,
"volume_molar": 18.65712111858823,
"formula_full": "Sr4 Mg8",
"formula_reduced": "SrMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1507203921568627,
"spacegroup": 194
},
{
"id": "jvasp-95607",
"created_at": "2022-09-04T14:36:30.516848Z",
"updated_at": "2022-09-04T14:36:30.516867Z",
"structure_string": "Sr4 Mg6 H20\n1.0\n8.187235 2.846419 -3.189686\n-8.187235 2.846419 3.189686\n-0.002008 0.000000 7.424436\nSr Mg H\n4 6 20\ndirect\n0.719947 0.280053 0.315103 Sr\n0.280053 0.719947 0.684897 Sr\n0.615817 0.384183 0.720745 Sr\n0.384183 0.615817 0.279256 Sr\n0.257495 0.257495 -0.000000 Mg\n0.175158 0.824842 0.020568 Mg\n0.742506 0.742506 0.000000 Mg\n0.075217 0.924784 0.448279 Mg\n0.924784 0.075217 0.551722 Mg\n0.824842 0.175158 0.979433 Mg\n0.864724 0.135276 0.256820 H\n0.768408 0.768408 0.500000 H\n0.231592 0.231592 0.500000 H\n0.515228 0.484773 0.189626 H\n0.484772 0.515228 0.810374 H\n0.238213 0.761788 0.289431 H\n0.761787 0.238213 0.710570 H\n0.135276 0.864724 0.743180 H\n0.020582 0.979418 0.178051 H\n0.091171 0.397630 0.518379 H\n0.397630 0.091172 0.481621 H\n0.908829 0.602370 0.481621 H\n0.602370 0.908829 0.518379 H\n0.000000 0.500000 0.000000 H\n0.384723 0.157476 0.029282 H\n0.842524 0.615277 0.029282 H\n0.615277 0.842525 0.970718 H\n0.157476 0.384723 0.970718 H\n0.979418 0.020583 0.821949 H\n0.500000 0.000000 -0.000000 H\n",
"nsites": 30,
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"elements": [
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"Mg",
"H"
],
"chemical_system": "H-Mg-Sr",
"density": 2.4786168752425604,
"density_atomic": 0.08670366758638876,
"volume": 346.00612448266924,
"volume_molar": 6.945658618189055,
"formula_full": "Sr4 Mg6 H20",
"formula_reduced": "Sr2Mg3H10",
"formula_anonymous": "A2B3C10",
"energy_above_hull": 1.7946239846666667,
"spacegroup": 12
},
{
"id": "jvasp-30910",
"created_at": "2022-09-04T14:38:35.990382Z",
"updated_at": "2022-09-04T14:38:35.990403Z",
"structure_string": "Sr4 Mg4 Sn4\n1.0\n4.874607 0.000000 0.000000\n0.000000 8.165110 0.000000\n0.000000 0.000000 8.860021\nSr Mg Sn\n4 4 4\ndirect\n0.750000 0.988594 0.810388 Sr\n0.250000 0.511407 0.310388 Sr\n0.250000 0.011406 0.189612 Sr\n0.750000 0.488594 0.689612 Sr\n0.750000 0.350352 0.068420 Mg\n0.250000 0.649648 0.931580 Mg\n0.750000 0.850352 0.431580 Mg\n0.250000 0.149648 0.568420 Mg\n0.250000 0.777334 0.606991 Sn\n0.250000 0.277334 0.893009 Sn\n0.750000 0.722666 0.106991 Sn\n0.750000 0.222666 0.393009 Sn\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Mg",
"Sn"
],
"chemical_system": "Mg-Sn-Sr",
"density": 4.344080895775381,
"density_atomic": 0.034028659964307414,
"volume": 352.64391876103184,
"volume_molar": 17.697260974474485,
"formula_full": "Sr4 Mg4 Sn4",
"formula_reduced": "SrMgSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-11396",
"created_at": "2022-09-04T14:38:34.536480Z",
"updated_at": "2022-09-04T14:38:34.536516Z",
"structure_string": "Sr4 Mg4 Si4\n1.0\n4.597113 0.000000 0.000000\n0.000000 7.802468 0.000000\n0.000000 0.000000 8.481038\nSr Mg Si\n4 4 4\ndirect\n0.250000 0.014401 0.184141 Sr\n0.250000 0.514401 0.315859 Sr\n0.749999 0.485599 0.684141 Sr\n0.749999 0.985599 0.815859 Sr\n0.749999 0.355198 0.065163 Mg\n0.250000 0.644802 0.934837 Mg\n0.749999 0.855198 0.434837 Mg\n0.250000 0.144802 0.565163 Mg\n0.749999 0.218843 0.391249 Si\n0.250000 0.281157 0.891249 Si\n0.250000 0.781158 0.608752 Si\n0.749999 0.718843 0.108752 Si\n",
"nsites": 12,
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"elements": [
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"Mg",
"Si"
],
"chemical_system": "Mg-Si-Sr",
"density": 3.05705682076497,
"density_atomic": 0.03944709823690406,
"volume": 304.2048854375201,
"volume_molar": 15.266371999870168,
"formula_full": "Sr4 Mg4 Si4",
"formula_reduced": "SrMgSi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5156258083333332,
"spacegroup": 62
}
]
}