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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=842",
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"results": [
{
"id": "jvasp-79166",
"created_at": "2022-09-04T14:37:51.537153Z",
"updated_at": "2022-09-04T14:37:51.537178Z",
"structure_string": "Mg3 Mo1\n1.0\n6.131840 0.256632 0.000000\n-1.421834 2.462690 -0.000000\n0.000000 0.000000 4.889066\nMg Mo\n3 1\ndirect\n0.650994 0.650993 0.250000 Mg\n0.329602 0.329602 0.750001 Mg\n0.867956 0.367955 0.750001 Mg\n0.151448 0.651448 0.250000 Mo\n",
"nsites": 4,
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"elements": [
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"Mo"
],
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"density": 3.708235301290895,
"density_atomic": 0.05290104518857499,
"volume": 75.61287278429572,
"volume_molar": 11.383784079375047,
"formula_full": "Mg3 Mo1",
"formula_reduced": "Mg3Mo",
"formula_anonymous": "AB3",
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"spacegroup": 25
},
{
"id": "jvasp-91880",
"created_at": "2022-09-04T14:36:10.372860Z",
"updated_at": "2022-09-04T14:36:10.372882Z",
"structure_string": "Mg7 Mo1\n1.0\n6.208077 0.000000 -0.000000\n-3.104039 5.376352 0.000000\n0.000000 -0.000000 4.914906\nMg Mo\n7 1\ndirect\n0.169463 0.834730 0.250000 Mg\n0.665269 0.330536 0.250000 Mg\n0.665269 0.834730 0.250000 Mg\n0.322530 0.177470 0.750001 Mg\n0.322530 0.645060 0.750001 Mg\n0.854940 0.177470 0.750001 Mg\n0.833333 0.666667 0.750001 Mg\n0.166667 0.333333 0.250000 Mo\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Mo"
],
"chemical_system": "Mg-Mo",
"density": 2.693352286167484,
"density_atomic": 0.04876744253063561,
"volume": 164.04386994405982,
"volume_molar": 12.34869094522827,
"formula_full": "Mg7 Mo1",
"formula_reduced": "Mg7Mo",
"formula_anonymous": "AB7",
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"spacegroup": 187
},
{
"id": "jvasp-37199",
"created_at": "2022-09-04T14:38:04.549975Z",
"updated_at": "2022-09-04T14:38:04.550005Z",
"structure_string": "Mg3 Mo1\n1.0\n4.192164 -0.000000 -0.000000\n-0.000000 4.192164 -0.000000\n0.000000 0.000000 4.192164\nMg Mo\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Mo"
],
"chemical_system": "Mg-Mo",
"density": 3.805819877685439,
"density_atomic": 0.05429316992342088,
"volume": 73.6740920753365,
"volume_molar": 11.091893821071924,
"formula_full": "Mg3 Mo1",
"formula_reduced": "Mg3Mo",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9285132625,
"spacegroup": 221
},
{
"id": "jvasp-102715",
"created_at": "2022-09-04T14:36:49.508364Z",
"updated_at": "2022-09-04T14:36:49.508399Z",
"structure_string": "Mg1 Mn1 Te2\n1.0\n4.531576 0.000000 0.000000\n0.000000 4.531576 0.000000\n-0.000000 -0.000000 6.360966\nMg Mn Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mn\n-0.000000 0.500000 0.258801 Te\n0.500000 0.000000 0.741199 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Te"
],
"chemical_system": "Mg-Mn-Te",
"density": 4.251573153659315,
"density_atomic": 0.030622340484457142,
"volume": 130.6235884233037,
"volume_molar": 19.665840901536033,
"formula_full": "Mg1 Mn1 Te2",
"formula_reduced": "MgMnTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.184000456178161,
"spacegroup": 115
},
{
"id": "jvasp-106038",
"created_at": "2022-09-04T14:35:52.822624Z",
"updated_at": "2022-09-04T14:35:52.822657Z",
"structure_string": "Mg3 Mn1 Te4\n1.0\n4.551611 0.000000 -0.000000\n0.000000 4.551611 0.000000\n0.000000 0.000000 12.820899\nMg Mn Te\n3 1 4\ndirect\n0.000000 0.000000 0.753735 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.246265 Mg\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.373066 Te\n0.500000 0.000000 0.118809 Te\n0.000000 0.500000 0.881191 Te\n0.500000 0.000000 0.626935 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Te"
],
"chemical_system": "Mg-Mn-Te",
"density": 3.990186889331274,
"density_atomic": 0.030119047362556394,
"volume": 265.6126504832784,
"volume_molar": 19.994459610587306,
"formula_full": "Mg3 Mn1 Te4",
"formula_reduced": "Mg3MnTe4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.6885631822557471,
"spacegroup": 115
},
{
"id": "jvasp-109386",
"created_at": "2022-09-04T14:38:02.232676Z",
"updated_at": "2022-09-04T14:38:02.232702Z",
"structure_string": "Mg1 Mn3 Te4\n1.0\n4.502335 -0.000000 0.000000\n0.000000 4.502335 0.000000\n-0.000000 -0.000000 12.702415\nMg Mn Te\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.746960 Mn\n0.000000 0.000000 0.500000 Mn\n0.499999 0.499999 0.253040 Mn\n-0.000000 0.499999 0.623536 Te\n0.499999 0.000000 0.376464 Te\n-0.000000 0.499999 0.130941 Te\n0.499999 0.000000 0.869060 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Te"
],
"chemical_system": "Mg-Mn-Te",
"density": 4.511145004283313,
"density_atomic": 0.031069057419226328,
"volume": 257.49091425764965,
"volume_molar": 19.383081626008213,
"formula_full": "Mg1 Mn3 Te4",
"formula_reduced": "MgMn3Te4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.2334264801005745,
"spacegroup": 115
},
{
"id": "jvasp-119679",
"created_at": "2022-09-04T14:38:36.767030Z",
"updated_at": "2022-09-04T14:38:36.767049Z",
"structure_string": "Y2 Mg2 Mn2 S8\n1.0\n6.695308 0.146806 3.884893\n2.382997 6.210728 3.725835\n-0.045317 0.031503 7.445500\nY Mg Mn S\n2 2 2 8\ndirect\n0.499998 0.500010 0.499990 Y\n-0.000000 0.499987 0.500011 Y\n0.872688 0.877342 0.877383 Mg\n0.127314 0.122655 0.122616 Mg\n0.499988 0.499998 0.000003 Mn\n0.500004 -0.000002 0.500003 Mn\n0.715223 0.766717 0.748047 S\n0.278860 0.234481 0.726406 S\n0.260316 0.726369 0.234402 S\n0.729739 0.251795 0.233410 S\n0.739671 0.273632 0.765599 S\n0.270260 0.748219 0.766583 S\n0.284783 0.233277 0.251953 S\n0.721160 0.765519 0.273594 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Y",
"Mg",
"Mn",
"S"
],
"chemical_system": "Mg-Mn-S-Y",
"density": 3.2005216756157706,
"density_atomic": 0.0455175086086905,
"volume": 307.5739518249254,
"volume_molar": 13.230383085708285,
"formula_full": "Y2 Mg2 Mn2 S8",
"formula_reduced": "YMgMnS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.0589302487684726,
"spacegroup": 15
},
{
"id": "jvasp-117395",
"created_at": "2022-09-04T14:38:49.813823Z",
"updated_at": "2022-09-04T14:38:49.813849Z",
"structure_string": "Mg2 Ti1 Mn3 S8\n1.0\n6.313812 0.006439 3.637580\n2.101402 5.954444 3.637077\n0.010133 0.008691 7.289411\nMg Ti Mn S\n2 1 3 8\ndirect\n0.872473 0.872437 0.872207 Mg\n0.127534 0.127558 0.127793 Mg\n0.500001 0.500004 0.499994 Ti\n0.499997 0.499999 0.000001 Mn\n0.999996 0.499994 0.500008 Mn\n0.500003 0.000002 0.499999 Mn\n0.736950 0.736982 0.736682 S\n0.261415 0.261527 0.719491 S\n0.261469 0.719275 0.261584 S\n0.719230 0.261456 0.261622 S\n0.738522 0.280721 0.738421 S\n0.280774 0.738548 0.738371 S\n0.263046 0.263016 0.263325 S\n0.738589 0.738473 0.280510 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"Ti",
"Mn",
"S"
],
"chemical_system": "Mg-Mn-S-Ti",
"density": 3.142754958147125,
"density_atomic": 0.05117031296394678,
"volume": 273.5961378595441,
"volume_molar": 11.76881752558957,
"formula_full": "Mg2 Ti1 Mn3 S8",
"formula_reduced": "Mg2TiMn3S8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.575171296962233,
"spacegroup": 166
},
{
"id": "jvasp-113132",
"created_at": "2022-09-04T14:38:46.544943Z",
"updated_at": "2022-09-04T14:38:46.544977Z",
"structure_string": "Sm2 Mg2 Mn2 S8\n1.0\n6.722572 -0.000830 4.046217\n2.303770 6.179938 3.772421\n0.011081 -0.014425 7.602307\nSm Mg Mn S\n2 2 2 8\ndirect\n0.500002 0.500005 0.499993 Sm\n-0.000003 0.499997 0.500007 Sm\n0.874291 0.875874 0.875625 Mg\n0.125712 0.124124 0.124373 Mg\n0.499997 0.499999 -0.000002 Mn\n0.500001 0.000005 0.499998 Mn\n0.708845 0.761082 0.761056 S\n0.270870 0.227845 0.729828 S\n0.271489 0.729726 0.227896 S\n0.730793 0.238679 0.239232 S\n0.728501 0.270277 0.772104 S\n0.269209 0.761318 0.760771 S\n0.291154 0.238910 0.238955 S\n0.729137 0.772161 0.270169 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sm",
"Mg",
"Mn",
"S"
],
"chemical_system": "Mg-Mn-S-Sm",
"density": 3.763343817808624,
"density_atomic": 0.04433084266878106,
"volume": 315.8072158610052,
"volume_molar": 13.584539335276272,
"formula_full": "Sm2 Mg2 Mn2 S8",
"formula_reduced": "SmMgMnS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.8425850237684729,
"spacegroup": 74
},
{
"id": "jvasp-99963",
"created_at": "2022-09-04T14:36:38.438863Z",
"updated_at": "2022-09-04T14:36:38.438881Z",
"structure_string": "Mg5 Mn1 Sb4\n1.0\n4.537737 -0.000000 -0.000000\n-2.268867 3.929796 0.000000\n-0.000000 0.000000 14.521290\nMg Mn Sb\n5 1 4\ndirect\n0.666667 0.333333 0.998265 Mg\n0.666667 0.333333 0.502624 Mg\n0.000000 -0.000000 0.184320 Mg\n0.333333 0.666668 0.811658 Mg\n0.333333 0.666668 0.316203 Mg\n0.000000 -0.000000 0.687336 Mn\n0.000000 -0.000000 0.882993 Sb\n0.000000 -0.000000 0.388433 Sb\n0.333333 0.666668 0.615796 Sb\n0.333333 0.666668 0.112373 Sb\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Sb"
],
"chemical_system": "Mg-Mn-Sb",
"density": 4.254783746860855,
"density_atomic": 0.038617617249685716,
"volume": 258.94917170430506,
"volume_molar": 15.594283616887342,
"formula_full": "Mg5 Mn1 Sb4",
"formula_reduced": "Mg5MnSb4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.742567689137931,
"spacegroup": 156
},
{
"id": "jvasp-10818",
"created_at": "2022-09-04T14:36:43.479375Z",
"updated_at": "2022-09-04T14:36:43.479390Z",
"structure_string": "Mg1 Mn4 S8\n1.0\n6.878561 0.006076 0.004296\n3.444542 5.966120 0.000000\n3.444542 1.988707 5.624914\nMg Mn S\n1 4 8\ndirect\n0.500000 0.000000 0.000000 Mg\n-0.000000 0.500000 0.500000 Mn\n0.499999 0.500000 0.000000 Mn\n0.499999 0.500001 0.500000 Mn\n0.499999 0.000001 0.500000 Mn\n0.259321 0.256848 0.256848 S\n0.259320 0.256849 0.726984 S\n0.259321 0.726984 0.256848 S\n0.727599 0.257467 0.257467 S\n0.272400 0.742534 0.742533 S\n0.740678 0.743153 0.273016 S\n0.740678 0.273017 0.743152 S\n0.740678 0.743153 0.743152 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
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"Mn",
"S"
],
"chemical_system": "Mg-Mn-S",
"density": 3.603686685270733,
"density_atomic": 0.056359902433984824,
"volume": 230.66044188467305,
"volume_molar": 10.685151144563852,
"formula_full": "Mg1 Mn4 S8",
"formula_reduced": "Mg(MnS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.8971498473474804,
"spacegroup": 166
},
{
"id": "jvasp-57990",
"created_at": "2022-09-04T14:37:09.127341Z",
"updated_at": "2022-09-04T14:37:09.127360Z",
"structure_string": "Mg2 Mn4 S8\n1.0\n6.430748 -0.000000 -3.376225\n-1.772561 6.181631 -3.376225\n-0.297823 -0.395225 7.245218\nMg Mn S\n2 4 8\ndirect\n0.375001 0.625001 0.750002 Mg\n0.625000 0.375000 0.250001 Mg\n0.000000 0.000000 0.500001 Mn\n0.000000 0.500000 0.000000 Mn\n0.500001 0.000000 0.500001 Mn\n0.000000 0.000000 0.000000 Mn\n0.761505 0.784585 0.523010 S\n0.761578 0.238497 0.976994 S\n0.215417 0.238497 0.976994 S\n0.238497 0.215416 0.476993 S\n0.238497 0.761578 0.476993 S\n0.238423 0.761504 0.023009 S\n0.761505 0.238423 0.523009 S\n0.784585 0.761504 0.023009 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Mn",
"S"
],
"chemical_system": "Mg-Mn-S",
"density": 3.2179275246056815,
"density_atomic": 0.05168843324322984,
"volume": 270.8536343928305,
"volume_molar": 11.650847940508587,
"formula_full": "Mg2 Mn4 S8",
"formula_reduced": "Mg(MnS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.359650504679802,
"spacegroup": 227
}
]
}