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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=3991",
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"results": [
{
"id": "jvasp-89516",
"created_at": "2022-09-04T14:35:50.972868Z",
"updated_at": "2022-09-04T14:35:50.972899Z",
"structure_string": "Yb10 Al4 Sb12\n1.0\n4.423919 0.000000 0.000000\n0.000000 7.335839 -0.000000\n0.000000 -0.000000 22.916654\nYb Al Sb\n10 4 12\ndirect\n0.000000 0.449888 0.910774 Yb\n0.000000 0.266846 0.746958 Yb\n0.000000 0.766846 0.753041 Yb\n0.000000 0.550112 0.089226 Yb\n0.000000 0.949888 0.589226 Yb\n0.000000 0.000000 0.000000 Yb\n0.000000 0.733154 0.253042 Yb\n0.000000 0.050112 0.410774 Yb\n0.000000 0.500000 0.500000 Yb\n0.000000 0.233154 0.246958 Yb\n0.500000 0.315591 0.621405 Al\n0.500000 0.684409 0.378595 Al\n0.500000 0.815591 0.878595 Al\n0.500000 0.184409 0.121405 Al\n0.500000 0.299815 0.004372 Sb\n0.500000 0.799815 0.495628 Sb\n0.000000 0.471337 0.363780 Sb\n0.000000 0.971337 0.136220 Sb\n0.500000 0.511166 0.811865 Sb\n0.500000 0.488834 0.188135 Sb\n0.000000 0.028663 0.863780 Sb\n0.000000 0.528663 0.636220 Sb\n0.500000 0.988834 0.311865 Sb\n0.500000 0.200185 0.504372 Sb\n0.500000 0.011166 0.688135 Sb\n0.500000 0.700185 0.995628 Sb\n",
"nsites": 26,
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"elements": [
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"Al",
"Sb"
],
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"volume": 743.7177823921942,
"volume_molar": 17.226050658772472,
"formula_full": "Yb10 Al4 Sb12",
"formula_reduced": "Yb5(AlSb3)2",
"formula_anonymous": "A2B5C6",
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{
"id": "jvasp-99728",
"created_at": "2022-09-04T14:36:32.428181Z",
"updated_at": "2022-09-04T14:36:32.428214Z",
"structure_string": "Rb2 Li1 Nd1 Cl6\n1.0\n6.404997 0.000000 3.697927\n2.134999 6.038689 3.697927\n0.000000 -0.000000 7.395853\nRb Li Nd Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.740868 0.259133 0.259133 Cl\n0.259133 0.259133 0.740867 Cl\n0.259133 0.740867 0.740867 Cl\n0.259133 0.740867 0.259133 Cl\n0.740868 0.259133 0.740867 Cl\n0.740868 0.740867 0.259133 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Li",
"Nd",
"Cl"
],
"chemical_system": "Cl-Li-Nd-Rb",
"density": 3.104705078678717,
"density_atomic": 0.03495828634119538,
"volume": 286.0552117000039,
"volume_molar": 17.226647499890223,
"formula_full": "Rb2 Li1 Nd1 Cl6",
"formula_reduced": "Rb2LiNdCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-121281",
"created_at": "2022-09-04T14:38:55.064201Z",
"updated_at": "2022-09-04T14:38:55.064225Z",
"structure_string": "As2 Br2\n1.0\n7.263084 0.732093 1.220139\n0.163514 -3.185413 0.930965\n-1.868601 0.066955 -5.306275\nAs Br\n2 2\ndirect\n0.007564 0.285011 0.118027 As\n0.627772 0.197880 -0.057374 As\n0.095055 0.529296 0.609892 Br\n0.540297 0.953594 0.450769 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"As",
"Br"
],
"chemical_system": "As-Br",
"density": 4.493657621212858,
"density_atomic": 0.0349573180811732,
"volume": 114.42525398292099,
"volume_molar": 17.22712464959752,
"formula_full": "As2 Br2",
"formula_reduced": "AsBr",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 12
},
{
"id": "jvasp-108002",
"created_at": "2022-09-04T14:35:46.096797Z",
"updated_at": "2022-09-04T14:35:46.096826Z",
"structure_string": "Yb6 Sn2\n1.0\n6.933880 -0.000000 0.000000\n-3.466940 6.004917 0.000000\n-0.000000 -0.000000 5.496477\nYb Sn\n6 2\ndirect\n0.172867 0.345733 0.250000 Yb\n0.654267 0.827134 0.250000 Yb\n0.172867 0.827134 0.250000 Yb\n0.827134 0.654267 0.750000 Yb\n0.345733 0.172867 0.750000 Yb\n0.827133 0.172867 0.750000 Yb\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333334 0.250000 Sn\n",
"nsites": 8,
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"elements": [
"Yb",
"Sn"
],
"chemical_system": "Sn-Yb",
"density": 9.255849620301372,
"density_atomic": 0.034956041130777785,
"volume": 228.85886791557272,
"volume_molar": 17.227753959522836,
"formula_full": "Yb6 Sn2",
"formula_reduced": "Yb3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-65088",
"created_at": "2022-09-04T14:36:12.322048Z",
"updated_at": "2022-09-04T14:36:12.322079Z",
"structure_string": "Be1 Fe1 Br4\n1.0\n0.000000 4.410992 4.410992\n4.410992 -0.000000 4.410992\n4.410992 4.410992 -0.000000\nBe Fe Br\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Fe\n0.126549 0.624483 0.624483 Br\n0.624483 0.624483 0.624483 Br\n0.624483 0.126549 0.624483 Br\n0.624483 0.624483 0.126549 Br\n",
"nsites": 6,
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"elements": [
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"Fe",
"Br"
],
"chemical_system": "Be-Br-Fe",
"density": 3.7194296043943336,
"density_atomic": 0.034955252560082674,
"volume": 171.64802313148584,
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"formula_full": "Be1 Fe1 Br4",
"formula_reduced": "BeFeBr4",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-31903",
"created_at": "2022-09-04T14:38:06.437715Z",
"updated_at": "2022-09-04T14:38:06.437745Z",
"structure_string": "Ga2 Cl6\n1.0\n6.866396 0.003417 -0.058558\n-3.453862 4.873990 -3.280167\n0.026978 -0.044666 6.866775\nGa Cl\n2 6\ndirect\n0.161252 0.076722 0.236668 Ga\n0.838749 0.923277 0.763332 Ga\n0.806006 0.612275 0.427887 Cl\n0.240728 0.235971 0.994714 Cl\n0.322806 0.870906 0.204682 Cl\n0.193995 0.387725 0.572112 Cl\n0.759273 0.764028 0.005286 Cl\n0.677195 0.129094 0.795318 Cl\n",
"nsites": 8,
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"elements": [
"Ga",
"Cl"
],
"chemical_system": "Cl-Ga",
"density": 2.5549499913169593,
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"volume": 228.88200623789666,
"volume_molar": 17.229495737447646,
"formula_full": "Ga2 Cl6",
"formula_reduced": "GaCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-10718",
"created_at": "2022-09-04T14:37:27.883843Z",
"updated_at": "2022-09-04T14:37:27.883858Z",
"structure_string": "Ag4 Sn2 Hg2 Se8\n1.0\n7.153936 0.000000 0.000000\n0.000000 7.492951 0.000000\n0.000000 0.000000 8.539940\nAg Sn Hg Se\n4 2 2 8\ndirect\n0.497419 0.821414 0.745084 Ag\n0.997420 0.178586 0.245084 Ag\n0.997420 0.178586 0.754916 Ag\n0.497419 0.821414 0.254916 Ag\n0.477969 0.332891 0.500000 Sn\n0.977969 0.667109 0.000000 Sn\n0.970536 0.649109 0.500000 Hg\n0.470535 0.350891 0.000000 Hg\n0.354502 0.656543 0.500000 Se\n0.854503 0.343457 0.000000 Se\n0.841325 0.314190 0.500000 Se\n0.341325 0.685810 0.000000 Se\n0.862917 0.843399 0.755861 Se\n0.862917 0.843399 0.244139 Se\n0.362917 0.156601 0.255861 Se\n0.362917 0.156601 0.744139 Se\n",
"nsites": 16,
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"elements": [
"Ag",
"Sn",
"Hg",
"Se"
],
"chemical_system": "Ag-Hg-Se-Sn",
"density": 6.172950703585298,
"density_atomic": 0.034951612764794866,
"volume": 457.7757286243471,
"volume_molar": 17.229936714296123,
"formula_full": "Ag4 Sn2 Hg2 Se8",
"formula_reduced": "Ag2SnHgSe4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 31
},
{
"id": "jvasp-81992",
"created_at": "2022-09-04T14:37:18.930081Z",
"updated_at": "2022-09-04T14:37:18.930113Z",
"structure_string": "Br2 Cl2\n1.0\n3.236081 2.262147 0.000000\n-3.236081 2.262147 0.000000\n0.000000 0.000000 7.816697\nBr Cl\n2 2\ndirect\n0.000541 0.000541 0.374871 Br\n0.999460 0.999460 0.874872 Br\n0.681421 0.681421 0.625129 Cl\n0.318580 0.318580 0.125129 Cl\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Br-Cl",
"density": 3.347569222719268,
"density_atomic": 0.034951555727048944,
"volume": 114.44411891812894,
"volume_molar": 17.229964831978783,
"formula_full": "Br2 Cl2",
"formula_reduced": "BrCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-85041",
"created_at": "2022-09-04T14:36:32.041593Z",
"updated_at": "2022-09-04T14:36:32.041623Z",
"structure_string": "Br2 Cl2\n1.0\n3.236081 2.262147 0.000000\n-3.236081 2.262147 0.000000\n0.000000 0.000000 7.816697\nBr Cl\n2 2\ndirect\n0.000541 0.000541 0.374871 Br\n0.999460 0.999460 0.874872 Br\n0.681421 0.681421 0.625129 Cl\n0.318580 0.318580 0.125129 Cl\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Br-Cl",
"density": 3.347569222719268,
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"volume": 114.44411891812894,
"volume_molar": 17.229964831978783,
"formula_full": "Br2 Cl2",
"formula_reduced": "BrCl",
"formula_anonymous": "AB",
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"spacegroup": 63
},
{
"id": "jvasp-15954",
"created_at": "2022-09-04T14:37:51.625297Z",
"updated_at": "2022-09-04T14:37:51.625323Z",
"structure_string": "Ho3 Ga1 C1\n1.0\n5.230017 0.000000 -0.000000\n0.000000 5.230017 0.000000\n0.000000 0.000000 5.230017\nHo Ga C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ho\n0.500000 0.000000 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
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"elements": [
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"Ga",
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],
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"density": 6.6920269952978,
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"volume": 143.05706200243444,
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"formula_full": "Ho3 Ga1 C1",
"formula_reduced": "Ho3GaC",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-108001",
"created_at": "2022-09-04T14:35:43.784481Z",
"updated_at": "2022-09-04T14:35:43.784501Z",
"structure_string": "Yb3 Al1\n1.0\n4.719584 -0.000000 2.724853\n1.573195 4.449667 2.724853\n-0.000000 -0.000000 5.449706\nYb Al\n3 1\ndirect\n0.749998 0.750001 0.750000 Yb\n0.249999 0.250000 0.250000 Yb\n0.499999 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Al\n",
"nsites": 4,
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],
"chemical_system": "Al-Yb",
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"density_atomic": 0.034950684576504035,
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"volume_molar": 17.23039429118492,
"formula_full": "Yb3 Al1",
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},
{
"id": "jvasp-39967",
"created_at": "2022-09-04T14:37:50.857635Z",
"updated_at": "2022-09-04T14:37:50.857664Z",
"structure_string": "Nd2 Cd1 In1\n1.0\n-0.000000 3.853598 3.853598\n3.853598 0.000000 3.853598\n3.853598 3.853598 -0.000000\nNd Cd In\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.499999 0.499999 0.499999 Nd\n0.250000 0.250000 0.250000 Cd\n0.749999 0.749999 0.749999 In\n",
"nsites": 4,
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"formula_full": "Nd2 Cd1 In1",
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}
]
}