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=-volume_molar&page=3644",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=3642",
"results": [
{
"id": "jvasp-118784",
"created_at": "2022-09-04T14:38:47.524917Z",
"updated_at": "2022-09-04T14:38:47.524946Z",
"structure_string": "Na1 F1\n1.0\n3.211723 0.193279 -0.554165\n-1.286047 -2.766264 1.160216\n-0.605145 0.900462 -3.079859\nNa F\n1 1\ndirect\n0.941143 0.156150 0.098428 Na\n0.441133 0.156179 0.598444 F\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"F"
],
"chemical_system": "F-Na",
"density": 2.8255730038832603,
"density_atomic": 0.08105138832144466,
"volume": 24.67570317325259,
"volume_molar": 7.430027893065288,
"formula_full": "Na1 F1",
"formula_reduced": "NaF",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-99397",
"created_at": "2022-09-04T14:36:37.455851Z",
"updated_at": "2022-09-04T14:36:37.455878Z",
"structure_string": "Ti1 Al1 Fe2\n1.0\n2.922812 -0.000000 0.000000\n0.000000 2.922812 0.000000\n-0.000000 0.000000 5.776879\nTi Al Fe\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.249898 Fe\n0.500000 0.500000 0.750102 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Ti",
"density": 6.276573703522624,
"density_atomic": 0.08105222787714082,
"volume": 49.35089515445782,
"volume_molar": 7.429950931303673,
"formula_full": "Ti1 Al1 Fe2",
"formula_reduced": "TiAlFe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.980665533333334,
"spacegroup": 123
},
{
"id": "jvasp-9598",
"created_at": "2022-09-04T14:36:49.166121Z",
"updated_at": "2022-09-04T14:36:49.166150Z",
"structure_string": "Na2 Nb2 O6\n1.0\n5.540509 -0.000000 0.000000\n0.000000 5.540509 0.000000\n-0.000000 -0.000000 4.019064\nNa Nb O\n2 2 6\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Nb\n0.000000 0.000000 0.000000 Nb\n0.808218 0.691782 0.000000 O\n0.691782 0.191782 0.000000 O\n0.308218 0.808218 0.000000 O\n0.191782 0.308218 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Nb",
"O"
],
"chemical_system": "Na-Nb-O",
"density": 4.411830533791315,
"density_atomic": 0.08105424198472037,
"volume": 123.3741720992852,
"volume_molar": 7.429766305303603,
"formula_full": "Na2 Nb2 O6",
"formula_reduced": "NaNbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.03834778,
"spacegroup": 127
},
{
"id": "jvasp-19917",
"created_at": "2022-09-04T14:36:56.869930Z",
"updated_at": "2022-09-04T14:36:56.869961Z",
"structure_string": "Cr6 Rh2\n1.0\n4.621367 0.000000 -0.000000\n-0.000000 4.621367 0.000000\n-0.000000 -0.000000 4.621367\nCr Rh\n6 2\ndirect\n0.250000 0.000000 0.500000 Cr\n0.750000 0.000000 0.500000 Cr\n0.000000 0.500000 0.250000 Cr\n0.000000 0.500000 0.750000 Cr\n0.500000 0.750000 0.000000 Cr\n0.500000 0.250000 0.000000 Cr\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"Rh"
],
"chemical_system": "Cr-Rh",
"density": 8.71142830401597,
"density_atomic": 0.08105477610597364,
"volume": 98.69868728698405,
"volume_molar": 7.4297173458680055,
"formula_full": "Cr6 Rh2",
"formula_reduced": "Cr3Rh",
"formula_anonymous": "AB3",
"energy_above_hull": 4.3227913,
"spacegroup": 223
},
{
"id": "jvasp-107376",
"created_at": "2022-09-04T14:37:00.571664Z",
"updated_at": "2022-09-04T14:37:00.571688Z",
"structure_string": "Pd1 C1 N2\n1.0\n3.480918 -0.272312 -0.815474\n2.303649 0.908494 4.494005\n1.072018 0.422774 15.112961\nPd C N\n1 1 2\ndirect\n-0.000000 -0.000014 -0.000001 Pd\n0.000001 -0.000008 0.499992 C\n0.000003 0.654235 0.541538 N\n0.000002 0.345677 0.458474 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pd",
"C",
"N"
],
"chemical_system": "C-N-Pd",
"density": 4.927762889805643,
"density_atomic": 0.08105668105323255,
"volume": 49.34818386374678,
"volume_molar": 7.429542736946095,
"formula_full": "Pd1 C1 N2",
"formula_reduced": "PdCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.59151805,
"spacegroup": 12
},
{
"id": "jvasp-4047",
"created_at": "2022-09-04T14:36:34.090883Z",
"updated_at": "2022-09-04T14:36:34.090902Z",
"structure_string": "Li4 N1 Cl1\n1.0\n3.495620 0.005676 5.907935\n1.621226 3.096936 5.907935\n0.009361 0.005676 6.864616\nLi N Cl\n4 1 1\ndirect\n0.903232 0.903235 0.903229 Li\n0.096768 0.096768 0.096768 Li\n0.655291 0.655294 0.655289 Li\n0.344708 0.344710 0.344707 Li\n0.000000 0.000000 0.000000 N\n0.500000 0.500002 0.499998 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"N",
"Cl"
],
"chemical_system": "Cl-Li-N",
"density": 1.7324713525579378,
"density_atomic": 0.08106205492389233,
"volume": 74.01736861510962,
"volume_molar": 7.429050208083273,
"formula_full": "Li4 N1 Cl1",
"formula_reduced": "Li4NCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3155778862499998,
"spacegroup": 166
},
{
"id": "jvasp-24860",
"created_at": "2022-09-04T14:38:29.051373Z",
"updated_at": "2022-09-04T14:38:29.051400Z",
"structure_string": "Ba2 Al2 B2 O6 F4\n1.0\n2.460211 -4.261211 -0.000000\n2.460211 4.261211 0.000000\n0.000000 -0.000000 9.413785\nBa Al B O F\n2 2 2 6 4\ndirect\n0.000000 0.000000 0.749999 Ba\n0.000000 0.000000 0.250000 Ba\n0.666667 0.333333 0.000000 Al\n0.333333 0.666667 0.500000 Al\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.500000 B\n0.944060 0.327132 0.500000 O\n0.055937 0.383069 0.000000 O\n0.383072 0.055940 0.500000 O\n0.327132 0.944062 0.000000 O\n0.616930 0.672868 0.000000 O\n0.672867 0.616928 0.500000 O\n0.666667 0.333333 0.802152 F\n0.333333 0.666667 0.697848 F\n0.333333 0.666667 0.302151 F\n0.666667 0.333333 0.197848 F\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ba",
"Al",
"B",
"O",
"F"
],
"chemical_system": "Al-B-Ba-F-O",
"density": 4.393498586142841,
"density_atomic": 0.08106256026069045,
"volume": 197.37841919309398,
"volume_molar": 7.42900389604436,
"formula_full": "Ba2 Al2 B2 O6 F4",
"formula_reduced": "BaAlBO3F2",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 1.4456453022916669,
"spacegroup": 190
},
{
"id": "jvasp-52824",
"created_at": "2022-09-04T14:36:04.528020Z",
"updated_at": "2022-09-04T14:36:04.528043Z",
"structure_string": "Sc1 F3\n1.0\n2.620919 2.335458 2.346704\n-1.480987 2.830280 2.833342\n-1.315594 -3.436029 1.089813\nSc F\n1 3\ndirect\n-0.010999 0.000000 -0.021998 Sc\n0.397628 0.161363 0.451602 F\n0.053974 0.838636 0.451603 F\n0.559395 0.500000 0.118791 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"F"
],
"chemical_system": "F-Sc",
"density": 3.430919278076646,
"density_atomic": 0.08106425318979643,
"volume": 49.343574295747416,
"volume_molar": 7.42884875026272,
"formula_full": "Sc1 F3",
"formula_reduced": "ScF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1055950000000001,
"spacegroup": 5
},
{
"id": "jvasp-68796",
"created_at": "2022-09-04T14:36:13.096350Z",
"updated_at": "2022-09-04T14:36:13.096374Z",
"structure_string": "Li1 Be1 Zn1\n1.0\n1.286661 -2.228562 0.000000\n1.286661 2.228562 -0.000000\n0.000000 -0.000000 6.453163\nLi Be Zn\n1 1 1\ndirect\n0.333333 0.666667 0.324378 Li\n0.000000 0.000000 0.997251 Be\n0.666667 0.333333 0.678370 Zn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Be",
"Zn"
],
"chemical_system": "Be-Li-Zn",
"density": 3.6507340435051407,
"density_atomic": 0.0810643240673273,
"volume": 37.00764836462924,
"volume_molar": 7.428842254946036,
"formula_full": "Li1 Be1 Zn1",
"formula_reduced": "LiBeZn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4259660166666666,
"spacegroup": 156
},
{
"id": "jvasp-44526",
"created_at": "2022-09-04T14:38:07.213347Z",
"updated_at": "2022-09-04T14:38:07.213369Z",
"structure_string": "Na6 Cu2 C2 S2 O14\n1.0\n0.000000 5.140472 -0.080951\n6.970256 0.000000 0.000000\n0.000000 0.123372 -8.953337\nNa Cu C S O\n6 2 2 2 14\ndirect\n0.268378 0.750000 0.077762 Na\n0.769933 0.009682 0.259345 Na\n0.769933 0.490319 0.259345 Na\n0.230066 0.509682 0.740655 Na\n0.230066 0.990319 0.740655 Na\n0.731621 0.250000 0.922238 Na\n0.307594 0.250000 0.366610 Cu\n0.692406 0.750000 0.633390 Cu\n0.766724 0.750000 0.939123 C\n0.233275 0.250000 0.060877 C\n0.280548 0.750000 0.403544 S\n0.719451 0.250000 0.596456 S\n0.567804 0.750000 0.850823 O\n0.789985 0.078369 0.684991 O\n0.789985 0.421631 0.684991 O\n0.426678 0.250000 0.578404 O\n0.151574 0.750000 0.553098 O\n0.848425 0.250000 0.446902 O\n0.723399 0.750000 0.083326 O\n0.210014 0.578370 0.315009 O\n0.210014 0.921631 0.315009 O\n0.432195 0.250000 0.149177 O\n-0.000645 0.250000 0.116007 O\n0.000644 0.750000 0.883993 O\n0.573321 0.750000 0.421596 O\n0.276600 0.250000 0.916674 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Na",
"Cu",
"C",
"S",
"O"
],
"chemical_system": "C-Cu-Na-O-S",
"density": 2.9882240679542647,
"density_atomic": 0.08106454321566685,
"volume": 320.7320854301087,
"volume_molar": 7.428822171955616,
"formula_full": "Na6 Cu2 C2 S2 O14",
"formula_reduced": "Na3CuCSO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 1.9794301499999996,
"spacegroup": 11
},
{
"id": "jvasp-42474",
"created_at": "2022-09-04T14:36:50.119970Z",
"updated_at": "2022-09-04T14:36:50.119981Z",
"structure_string": "Fe2 S2\n1.0\n1.668940 -2.890688 -0.000000\n1.668940 2.890688 -0.000000\n-0.000000 0.000000 5.113911\nFe S\n2 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.333333 0.666667 0.249989 S\n0.666667 0.333333 0.750011 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"S"
],
"chemical_system": "Fe-S",
"density": 5.916873287541,
"density_atomic": 0.08106527996580502,
"volume": 49.342949308104295,
"volume_molar": 7.428754656173717,
"formula_full": "Fe2 S2",
"formula_reduced": "FeS",
"formula_anonymous": "AB",
"energy_above_hull": 1.6017227499999995,
"spacegroup": 194
},
{
"id": "jvasp-107643",
"created_at": "2022-09-04T14:36:57.331695Z",
"updated_at": "2022-09-04T14:36:57.331725Z",
"structure_string": "Ca2 Co1 O3\n1.0\n3.303200 0.027649 0.456795\n0.007230 3.303307 0.456795\n0.760348 0.765063 6.993094\nCa Co O\n2 1 3\ndirect\n0.413087 0.413087 0.176716 Ca\n0.094447 0.094446 0.814907 Ca\n0.763914 0.763914 0.495736 Co\n0.594168 0.594167 0.806075 O\n0.164341 0.164340 0.495851 O\n0.904046 0.904047 0.185707 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Co",
"O"
],
"chemical_system": "Ca-Co-O",
"density": 4.197390960611754,
"density_atomic": 0.08106568333464972,
"volume": 74.01405567916102,
"volume_molar": 7.428717691973084,
"formula_full": "Ca2 Co1 O3",
"formula_reduced": "Ca2CoO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4017420400000002,
"spacegroup": 42
}
]
}