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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=3384",
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"results": [
{
"id": "jvasp-47934",
"created_at": "2022-09-04T14:37:08.362076Z",
"updated_at": "2022-09-04T14:37:08.362102Z",
"structure_string": "Li2 Mn1 F4\n1.0\n3.281108 0.000000 -0.000000\n-1.640554 0.947174 8.594423\n1.640554 -2.841522 0.000000\nLi Mn F\n2 1 4\ndirect\n0.203683 0.611049 0.203683 Li\n0.796317 0.388951 0.796317 Li\n0.000000 0.000000 0.000000 Mn\n0.126313 0.378939 0.126313 F\n0.628881 0.886640 0.628881 F\n0.371119 0.113359 0.371119 F\n0.873687 0.621061 0.873687 F\n",
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"elements": [
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"volume": 80.12873260049493,
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"formula_full": "Li2 Mn1 F4",
"formula_reduced": "Li2MnF4",
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{
"id": "jvasp-35152",
"created_at": "2022-09-04T14:38:14.781913Z",
"updated_at": "2022-09-04T14:38:14.781930Z",
"structure_string": "Ga3 B1 N4\n1.0\n4.311172 -0.000000 0.000000\n0.000000 4.311172 -0.000000\n-0.000000 0.000000 4.311172\nGa B N\n3 1 4\ndirect\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 B\n0.779905 0.779905 0.220094 N\n0.779905 0.220094 0.779905 N\n0.220094 0.779905 0.779905 N\n0.220094 0.220094 0.220094 N\n",
"nsites": 8,
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"elements": [
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],
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"density": 5.719826157868458,
"density_atomic": 0.09983985396683705,
"volume": 80.12832232965096,
"volume_molar": 6.031800449147615,
"formula_full": "Ga3 B1 N4",
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{
"id": "jvasp-121187",
"created_at": "2022-09-04T14:38:54.656935Z",
"updated_at": "2022-09-04T14:38:54.656947Z",
"structure_string": "Li1 S3\n1.0\n5.071366 -0.843748 0.019639\n2.059116 -3.412727 -0.071506\n0.643677 0.450955 -5.129417\nLi S\n1 3\ndirect\n0.067448 -0.195953 0.854324 Li\n0.654283 0.649253 0.885186 S\n0.525757 0.733150 0.283340 S\n0.159048 0.688570 0.359848 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"S"
],
"chemical_system": "Li-S",
"density": 2.1373524100674968,
"density_atomic": 0.04992024926931354,
"volume": 80.12780501997291,
"volume_molar": 12.063523015502787,
"formula_full": "Li1 S3",
"formula_reduced": "LiS3",
"formula_anonymous": "AB3",
"energy_above_hull": null,
"spacegroup": 1
},
{
"id": "jvasp-20649",
"created_at": "2022-09-04T14:38:12.328627Z",
"updated_at": "2022-09-04T14:38:12.328663Z",
"structure_string": "Ag3 Sb1\n1.0\n3.283938 0.000000 0.000000\n0.000000 4.738290 0.000000\n0.000000 0.000000 5.149086\nAg Sb\n3 1\ndirect\n0.500000 0.500000 0.828268 Ag\n0.000000 0.500000 0.355237 Ag\n0.500000 0.000000 0.494713 Ag\n0.000000 0.000000 0.001784 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"Sb"
],
"chemical_system": "Ag-Sb",
"density": 9.230347666316147,
"density_atomic": 0.04992444655861991,
"volume": 80.12106844896738,
"volume_molar": 12.06250880103191,
"formula_full": "Ag3 Sb1",
"formula_reduced": "Ag3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.22442447,
"spacegroup": 25
},
{
"id": "jvasp-14316",
"created_at": "2022-09-04T14:37:05.893701Z",
"updated_at": "2022-09-04T14:37:05.893724Z",
"structure_string": "Ag3 Sb1\n1.0\n3.284019 0.000000 0.000000\n0.000000 4.738270 0.000000\n0.000000 0.000000 5.148899\nAg Sb\n3 1\ndirect\n0.500000 0.500000 0.828274 Ag\n0.000000 0.500000 0.355242 Ag\n0.500000 0.000000 0.494710 Ag\n0.000000 0.000000 0.001773 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Sb"
],
"chemical_system": "Ag-Sb",
"density": 9.230494185599525,
"density_atomic": 0.049925239041676596,
"volume": 80.11979665557294,
"volume_molar": 12.062317328060937,
"formula_full": "Ag3 Sb1",
"formula_reduced": "Ag3Sb",
"formula_anonymous": "AB3",
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"spacegroup": 25
},
{
"id": "jvasp-102811",
"created_at": "2022-09-04T14:38:45.503353Z",
"updated_at": "2022-09-04T14:38:45.503379Z",
"structure_string": "Ag1 Pt4\n1.0\n2.788851 0.002520 11.542110\n1.376778 2.425320 11.542110\n0.004323 0.002520 11.874257\nAg Pt\n1 4\ndirect\n0.000000 0.000000 0.000000 Ag\n0.598880 0.598881 0.598881 Pt\n0.199462 0.199462 0.199463 Pt\n0.800537 0.800538 0.800538 Pt\n0.401119 0.401119 0.401119 Pt\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ag",
"Pt"
],
"chemical_system": "Ag-Pt",
"density": 18.410308008081564,
"density_atomic": 0.062412149310899744,
"volume": 80.11260716391949,
"volume_molar": 9.648987939834152,
"formula_full": "Ag1 Pt4",
"formula_reduced": "AgPt4",
"formula_anonymous": "AB4",
"energy_above_hull": 2.1745985720000003,
"spacegroup": 166
},
{
"id": "jvasp-105570",
"created_at": "2022-09-04T14:36:44.447373Z",
"updated_at": "2022-09-04T14:36:44.447382Z",
"structure_string": "Cr2 C2 N4\n1.0\n3.113163 -0.000008 0.000000\n-1.556589 2.695960 0.000000\n-0.000000 -0.000000 9.544607\nCr C N\n2 2 4\ndirect\n0.000009 -0.000013 0.000000 Cr\n0.000009 -0.000013 0.500000 Cr\n0.666672 0.333322 0.250000 C\n0.333332 0.666653 0.750000 C\n0.666674 0.333318 0.119696 N\n0.333336 0.666656 0.880304 N\n0.333336 0.666656 0.619696 N\n0.666674 0.333318 0.380304 N\n",
"nsites": 8,
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"elements": [
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"C",
"N"
],
"chemical_system": "C-Cr-N",
"density": 3.8149561888903905,
"density_atomic": 0.09986591279162824,
"volume": 80.10741379485634,
"volume_molar": 6.030226522402383,
"formula_full": "Cr2 C2 N4",
"formula_reduced": "CrCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.259900975,
"spacegroup": 194
},
{
"id": "jvasp-79742",
"created_at": "2022-09-04T14:37:10.474752Z",
"updated_at": "2022-09-04T14:37:10.474775Z",
"structure_string": "Sc1 Tl1 Ag2\n1.0\n-11.375217 2.833281 -2.025828\n-8.123712 0.697981 1.058335\n-6.770734 4.503016 -1.216194\nSc Tl Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500001 -0.000000 -0.000000 Tl\n0.750073 -0.000050 -0.000074 Ag\n0.249928 0.000048 0.000073 Ag\n",
"nsites": 4,
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"elements": [
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"Tl",
"Ag"
],
"chemical_system": "Ag-Sc-Tl",
"density": 9.640769522659747,
"density_atomic": 0.04993430712960165,
"volume": 80.10524687201982,
"volume_molar": 12.060126806946327,
"formula_full": "Sc1 Tl1 Ag2",
"formula_reduced": "ScTlAg2",
"formula_anonymous": "ABC2",
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"spacegroup": 139
},
{
"id": "jvasp-35234",
"created_at": "2022-09-04T14:37:57.548665Z",
"updated_at": "2022-09-04T14:37:57.548694Z",
"structure_string": "K2 Cu1 O2\n1.0\n3.207763 -0.630470 -2.386514\n-0.016013 3.946774 -1.064379\n-1.710766 -0.044564 7.708853\nK Cu O\n2 1 2\ndirect\n-0.023110 0.661916 0.323842 K\n0.023109 0.338084 0.676158 K\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 O\n0.500000 -0.000000 0.000000 O\n",
"nsites": 5,
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"elements": [
"K",
"Cu",
"O"
],
"chemical_system": "Cu-K-O",
"density": 3.601665602384757,
"density_atomic": 0.0624195995758832,
"volume": 80.1030451007864,
"volume_molar": 9.647836258031282,
"formula_full": "K2 Cu1 O2",
"formula_reduced": "K2CuO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.3760302999999998,
"spacegroup": 12
},
{
"id": "jvasp-41423",
"created_at": "2022-09-04T14:37:58.186635Z",
"updated_at": "2022-09-04T14:37:58.186663Z",
"structure_string": "Tm2 Zn1 Ir1\n1.0\n0.000000 3.421409 3.421409\n3.421409 -0.000000 3.421409\n3.421409 3.421409 0.000000\nTm Zn Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.499999 0.499999 0.499999 Tm\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",
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],
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"density": 12.344736314615453,
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"volume": 80.10229810916066,
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"formula_full": "Tm2 Zn1 Ir1",
"formula_reduced": "Tm2ZnIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2449424999999998,
"spacegroup": 225
},
{
"id": "jvasp-41906",
"created_at": "2022-09-04T14:37:42.107504Z",
"updated_at": "2022-09-04T14:37:42.107538Z",
"structure_string": "Li1 Er2 Ir1\n1.0\n0.000000 3.421379 3.421379\n3.421379 -0.000000 3.421379\n3.421379 3.421379 0.000000\nLi Er Ir\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Li\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Er\n0.250001 0.250001 0.250001 Ir\n",
"nsites": 4,
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"elements": [
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],
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"density": 11.063517269996888,
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"volume": 80.10019104051804,
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"formula_full": "Li1 Er2 Ir1",
"formula_reduced": "LiEr2Ir",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-32731",
"created_at": "2022-09-04T14:38:02.882480Z",
"updated_at": "2022-09-04T14:38:02.882512Z",
"structure_string": "Cr1 Br2\n1.0\n3.651849 -0.000000 0.000000\n-1.825924 3.566494 -0.265379\n0.000000 -0.042222 6.153173\nCr Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.648043 0.296084 0.244536 Br\n0.351958 0.703916 0.755463 Br\n",
"nsites": 3,
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"elements": [
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"density": 4.390882588543748,
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"volume": 80.0998376576265,
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"formula_full": "Cr1 Br2",
"formula_reduced": "CrBr2",
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}
]
}