HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=623",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=621",
"results": [
{
"id": "jvasp-110559",
"created_at": "2022-09-04T14:38:38.197275Z",
"updated_at": "2022-09-04T14:38:38.197296Z",
"structure_string": "Na1 Ce1 S2\n1.0\n3.920552 -0.003233 5.818292\n1.774961 3.495749 5.818292\n-0.005273 -0.003233 7.015927\nNa Ce S\n1 1 2\ndirect\n0.499999 0.500001 0.499999 Na\n0.000000 0.000000 0.000000 Ce\n0.254525 0.254526 0.254525 S\n0.745473 0.745476 0.745474 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ce",
"S"
],
"chemical_system": "Ce-Na-S",
"density": 3.916563029274715,
"density_atomic": 0.04151827670544665,
"volume": 96.34311241716958,
"volume_molar": 14.504794605817477,
"formula_full": "Na1 Ce1 S2",
"formula_reduced": "NaCeS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.843903625,
"spacegroup": 166
},
{
"id": "jvasp-110560",
"created_at": "2022-09-04T14:38:39.109092Z",
"updated_at": "2022-09-04T14:38:39.109112Z",
"structure_string": "Na3 Br1 Cl2\n1.0\n4.045913 -0.000000 0.000000\n-2.022956 3.503863 -0.000000\n0.000000 0.000000 9.908687\nNa Br Cl\n3 1 2\ndirect\n0.000000 0.000000 0.500000 Na\n0.333332 0.666666 0.178262 Na\n0.666666 0.333333 0.821739 Na\n0.000000 0.000000 0.000000 Br\n0.333332 0.666666 0.660822 Cl\n0.666666 0.333333 0.339179 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Na",
"density": 2.59810160960611,
"density_atomic": 0.042714121982660794,
"volume": 140.46876586707359,
"volume_molar": 14.098711340583343,
"formula_full": "Na3 Br1 Cl2",
"formula_reduced": "Na3BrCl2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0027183333333333,
"spacegroup": 164
},
{
"id": "jvasp-110562",
"created_at": "2022-09-04T14:38:38.427922Z",
"updated_at": "2022-09-04T14:38:38.427950Z",
"structure_string": "Na2 Br1 Cl1\n1.0\n3.910353 0.000113 5.897011\n1.777614 3.482951 5.897011\n0.000185 0.000113 7.075705\nNa Br Cl\n2 1 1\ndirect\n0.254244 0.254244 0.254245 Na\n0.745754 0.745754 0.745759 Na\n0.499999 0.499999 0.500002 Br\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Na",
"density": 2.7802171619402216,
"density_atomic": 0.04151039621351773,
"volume": 96.36140256106283,
"volume_molar": 14.507548251343621,
"formula_full": "Na2 Br1 Cl1",
"formula_reduced": "Na2BrCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-110563",
"created_at": "2022-09-04T14:38:38.455571Z",
"updated_at": "2022-09-04T14:38:38.455581Z",
"structure_string": "Mo1 Cl6\n1.0\n6.018130 0.000000 0.000000\n-3.009065 5.211853 -0.000000\n0.000000 0.000000 5.518722\nMo Cl\n1 6\ndirect\n0.000000 0.000000 0.500000 Mo\n0.313095 0.313095 0.258251 Cl\n-0.000001 0.686905 0.258251 Cl\n0.686905 -0.000000 0.258251 Cl\n-0.000000 0.313095 0.741749 Cl\n0.313095 -0.000000 0.741749 Cl\n0.686904 0.686905 0.741749 Cl\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Mo",
"Cl"
],
"chemical_system": "Cl-Mo",
"density": 2.9609726433814125,
"density_atomic": 0.04043950208897877,
"volume": 173.09807585162514,
"volume_molar": 14.89172825805205,
"formula_full": "Mo1 Cl6",
"formula_reduced": "MoCl6",
"formula_anonymous": "AB6",
"energy_above_hull": 0.9592271864285712,
"spacegroup": 162
},
{
"id": "jvasp-110564",
"created_at": "2022-09-04T14:38:38.621653Z",
"updated_at": "2022-09-04T14:38:38.621669Z",
"structure_string": "Mn1 Cr1 B2\n1.0\n4.130699 0.004456 0.000000\n-3.069118 2.764637 0.000000\n0.000000 0.000000 2.930375\nMn Cr B\n1 1 2\ndirect\n0.856933 0.143069 0.000000 Mn\n0.144396 0.855606 0.500001 Cr\n0.432881 0.567121 0.500001 B\n0.565793 0.434209 0.000000 B\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Cr",
"B"
],
"chemical_system": "B-Cr-Mn",
"density": 6.371435483726328,
"density_atomic": 0.11938653368773115,
"volume": 33.504616278268436,
"volume_molar": 5.044237883437996,
"formula_full": "Mn1 Cr1 B2",
"formula_reduced": "MnCrB2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.380407452011494,
"spacegroup": 38
},
{
"id": "jvasp-110565",
"created_at": "2022-09-04T14:38:39.562797Z",
"updated_at": "2022-09-04T14:38:39.562825Z",
"structure_string": "Mn2 Co2 B4\n1.0\n3.006335 0.000000 0.000000\n0.000000 3.994501 0.000000\n0.000000 0.000000 5.399429\nMn Co B\n2 2 4\ndirect\n0.500001 0.374018 0.321223 Mn\n0.500001 0.625981 0.821223 Mn\n0.000000 0.134903 0.678350 Co\n0.000000 0.865097 0.178350 Co\n0.000000 0.641392 0.533049 B\n0.000000 0.358608 0.033048 B\n0.500001 0.874157 0.467379 B\n0.500001 0.125842 0.967379 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Co",
"B"
],
"chemical_system": "B-Co-Mn",
"density": 6.939832352182889,
"density_atomic": 0.12337928383759926,
"volume": 64.84070705524745,
"volume_molar": 4.880998310807815,
"formula_full": "Mn2 Co2 B4",
"formula_reduced": "MnCoB2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.026348327011494,
"spacegroup": 26
},
{
"id": "jvasp-110566",
"created_at": "2022-09-04T14:38:39.396123Z",
"updated_at": "2022-09-04T14:38:39.396151Z",
"structure_string": "Mg6 Cd1 In1\n1.0\n6.303151 0.000000 0.000000\n-3.151575 5.458689 -0.000000\n0.000000 0.000000 5.146493\nMg Cd In\n6 1 1\ndirect\n0.667909 0.833955 0.500000 Mg\n0.166045 0.833955 0.500000 Mg\n0.166045 0.332090 0.500000 Mg\n0.335952 0.167976 0.000000 Mg\n0.832024 0.167976 0.000000 Mg\n0.832023 0.664048 0.000000 Mg\n0.666667 0.333333 0.500000 Cd\n0.333333 0.666667 0.000000 In\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"In"
],
"chemical_system": "Cd-In-Mg",
"density": 3.498397626576347,
"density_atomic": 0.045178575933508165,
"volume": 177.075081157362,
"volume_molar": 13.32963829772572,
"formula_full": "Mg6 Cd1 In1",
"formula_reduced": "Mg6CdIn",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-110567",
"created_at": "2022-09-04T14:38:39.025190Z",
"updated_at": "2022-09-04T14:38:39.025221Z",
"structure_string": "Li1 Sm1 S2\n1.0\n3.982212 0.000000 -0.000000\n0.000000 3.982212 -0.000000\n-0.000000 0.000000 5.430465\nLi Sm S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sm",
"S"
],
"chemical_system": "Li-S-Sm",
"density": 4.269743110106941,
"density_atomic": 0.04644877009450355,
"volume": 86.11638137805794,
"volume_molar": 12.965124260012692,
"formula_full": "Li1 Sm1 S2",
"formula_reduced": "LiSmS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.02831971875,
"spacegroup": 123
},
{
"id": "jvasp-110575",
"created_at": "2022-09-04T14:38:39.059230Z",
"updated_at": "2022-09-04T14:38:39.059248Z",
"structure_string": "K1 Ti2 Bi1 O6\n1.0\n4.798886 -0.000000 2.770638\n1.599629 4.524433 2.770638\n0.000000 0.000000 5.541276\nK Ti Bi O\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Ti\n0.750001 0.750000 0.750001 Ti\n0.500001 0.500000 0.500001 Bi\n0.500000 0.000000 -0.000000 O\n0.000000 0.500000 0.500001 O\n0.000000 0.000000 0.500000 O\n0.500001 0.500000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ti",
"Bi",
"O"
],
"chemical_system": "Bi-K-O-Ti",
"density": 6.070143134714267,
"density_atomic": 0.08311618928128062,
"volume": 120.3135043421943,
"volume_molar": 7.245448584775653,
"formula_full": "K1 Ti2 Bi1 O6",
"formula_reduced": "KTi2BiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.389977996666667,
"spacegroup": 225
},
{
"id": "jvasp-110577",
"created_at": "2022-09-04T14:38:39.025786Z",
"updated_at": "2022-09-04T14:38:39.025806Z",
"structure_string": "K2 Ca1 Pr1 O4\n1.0\n3.629791 0.000000 0.000000\n0.000000 5.858998 1.865509\n0.000000 0.026954 6.536227\nK Ca Pr O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.500000 Ca\n0.500000 -0.000000 0.500000 Pr\n0.500000 0.736001 0.301955 O\n0.000000 0.232503 0.300942 O\n0.500000 0.263998 0.698046 O\n0.000000 0.767496 0.699059 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"K",
"Ca",
"Pr",
"O"
],
"chemical_system": "Ca-K-O-Pr",
"density": 3.8657332878259227,
"density_atomic": 0.057627330436474604,
"volume": 138.82301920646466,
"volume_molar": 10.450147029868921,
"formula_full": "K2 Ca1 Pr1 O4",
"formula_reduced": "K2CaPrO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.0097737837499998,
"spacegroup": 10
},
{
"id": "jvasp-110578",
"created_at": "2022-09-04T14:38:39.233370Z",
"updated_at": "2022-09-04T14:38:39.233392Z",
"structure_string": "Ir1 Pt1\n1.0\n2.667523 0.000663 3.974016\n1.210584 2.377008 3.974016\n0.001082 0.000663 4.786281\nIr Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.499999 0.499999 0.500003 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"Pt"
],
"chemical_system": "Ir-Pt",
"density": 21.203956848698294,
"density_atomic": 0.06594003777731283,
"volume": 30.330586202486455,
"volume_molar": 9.132752972234366,
"formula_full": "Ir1 Pt1",
"formula_reduced": "IrPt",
"formula_anonymous": "AB",
"energy_above_hull": 2.45380625,
"spacegroup": 166
},
{
"id": "jvasp-110579",
"created_at": "2022-09-04T14:38:39.126177Z",
"updated_at": "2022-09-04T14:38:39.126205Z",
"structure_string": "In2 Ag1 Te3 Br1\n1.0\n4.311386 0.000000 0.000000\n0.000000 4.311386 -0.000000\n0.000000 -0.000000 11.630796\nIn Ag Te Br\n2 1 3 1\ndirect\n0.500000 0.500000 0.737182 In\n0.500000 0.500000 0.262819 In\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.759390 Te\n0.000000 0.000000 0.240610 Te\n0.500000 0.500000 0.000000 Te\n0.500000 0.500000 0.500000 Br\n",
"nsites": 7,
"nelements": 4,
"elements": [
"In",
"Ag",
"Te",
"Br"
],
"chemical_system": "Ag-Br-In-Te",
"density": 6.146230482432031,
"density_atomic": 0.03237835551420196,
"volume": 216.19380875997928,
"volume_molar": 18.599279254187376,
"formula_full": "In2 Ag1 Te3 Br1",
"formula_reduced": "In2AgTe3Br",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.1897492292857143,
"spacegroup": 123
}
]
}