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=-formula_reduced&page=1166",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1164",
"results": [
{
"id": "jvasp-39138",
"created_at": "2022-09-04T14:38:16.950327Z",
"updated_at": "2022-09-04T14:38:16.950351Z",
"structure_string": "Sc1 V1 O3\n1.0\n3.756522 -0.000000 0.000000\n-0.000000 3.756522 0.000000\n-0.000000 -0.000000 3.756522\nSc V O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sc",
"V",
"O"
],
"chemical_system": "O-Sc-V",
"density": 4.507532204069586,
"density_atomic": 0.0943218248466146,
"volume": 53.01000068786795,
"volume_molar": 6.384673716600753,
"formula_full": "Sc1 V1 O3",
"formula_reduced": "ScVO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.50163399,
"spacegroup": 221
},
{
"id": "jvasp-46266",
"created_at": "2022-09-04T14:38:04.508378Z",
"updated_at": "2022-09-04T14:38:04.508388Z",
"structure_string": "Sc4 V4 O12\n1.0\n5.048247 0.000000 0.000000\n0.000000 5.434162 0.000000\n0.000000 0.000000 7.506109\nSc V O\n4 4 12\ndirect\n0.975253 0.072393 0.250000 Sc\n0.475253 0.427607 0.750000 Sc\n0.524748 0.572393 0.250000 Sc\n0.024747 0.927606 0.750000 Sc\n0.500000 0.000000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.817054 0.809758 0.070735 O\n0.317054 0.690242 0.929265 O\n0.317054 0.690242 0.570735 O\n0.857792 0.563516 0.750000 O\n0.142209 0.436483 0.250000 O\n0.182946 0.190242 0.570735 O\n0.682946 0.309758 0.070735 O\n0.182946 0.190242 0.929265 O\n0.817054 0.809758 0.429265 O\n0.642209 0.063517 0.750000 O\n0.682946 0.309758 0.429265 O\n0.357792 0.936483 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sc",
"V",
"O"
],
"chemical_system": "O-Sc-V",
"density": 4.641609449590327,
"density_atomic": 0.09712744217675949,
"volume": 205.9150282533186,
"volume_molar": 6.200246423704308,
"formula_full": "Sc4 V4 O12",
"formula_reduced": "ScVO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.40285799,
"spacegroup": 62
},
{
"id": "jvasp-35520",
"created_at": "2022-09-04T14:37:45.995312Z",
"updated_at": "2022-09-04T14:37:45.995325Z",
"structure_string": "Sc1 V2 Ga4\n1.0\n-0.000000 -0.000000 5.198323\n-3.236296 3.236296 2.599162\n-3.236296 -3.236296 2.599162\nSc V Ga\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Sc\n0.249999 0.500001 0.500001 V\n0.749999 0.500001 0.500001 V\n0.299681 0.000000 0.400637 Ga\n0.700317 0.000000 0.599364 Ga\n0.700317 0.599364 0.000000 Ga\n0.299681 0.400637 0.000000 Ga\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sc",
"V",
"Ga"
],
"chemical_system": "Ga-Sc-V",
"density": 6.4922398031196344,
"density_atomic": 0.06428480196641345,
"volume": 108.89043422203048,
"volume_molar": 9.36790746146555,
"formula_full": "Sc1 V2 Ga4",
"formula_reduced": "Sc(VGa2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5030561357142864,
"spacegroup": 139
},
{
"id": "jvasp-51109",
"created_at": "2022-09-04T14:36:35.144917Z",
"updated_at": "2022-09-04T14:36:35.144940Z",
"structure_string": "Sc1 V1 Fe1\n1.0\n-0.000000 2.890160 2.890160\n2.890160 -0.000000 2.890160\n2.890160 2.890160 -0.000000\nSc V Fe\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.750000 0.750000 0.750000 V\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"V",
"Fe"
],
"chemical_system": "Fe-Sc-V",
"density": 5.218677105240996,
"density_atomic": 0.06213346889387389,
"volume": 48.283156459912185,
"volume_molar": 9.69226548462315,
"formula_full": "Sc1 V1 Fe1",
"formula_reduced": "ScVFe",
"formula_anonymous": "ABC",
"energy_above_hull": 3.2605883166666665,
"spacegroup": 216
},
{
"id": "jvasp-122984",
"created_at": "2022-09-04T14:38:55.367847Z",
"updated_at": "2022-09-04T14:38:55.367864Z",
"structure_string": "Sc1 V1\n1.0\n3.286448 -0.000000 -0.000000\n-0.000000 3.286448 -0.000000\n0.000000 -0.000000 3.286448\nSc V\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 V\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"V"
],
"chemical_system": "Sc-V",
"density": 4.486169612908968,
"density_atomic": 0.05634426274508594,
"volume": 35.496071872453946,
"volume_molar": 10.688117062149722,
"formula_full": "Sc1 V1",
"formula_reduced": "ScV",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 221
},
{
"id": "jvasp-80088",
"created_at": "2022-09-04T14:37:14.636332Z",
"updated_at": "2022-09-04T14:37:14.636356Z",
"structure_string": "Sc1 U1 Tc2\n1.0\n0.000000 3.302960 3.302960\n3.302960 -0.000000 3.302960\n3.302960 3.302960 0.000000\nSc U Tc\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750001 0.750001 0.750001 U\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"U",
"Tc"
],
"chemical_system": "Sc-Tc-U",
"density": 11.03648839040952,
"density_atomic": 0.05550345944458361,
"volume": 72.06757993154868,
"volume_molar": 10.850027764508432,
"formula_full": "Sc1 U1 Tc2",
"formula_reduced": "ScUTc2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.8111310625,
"spacegroup": 225
},
{
"id": "jvasp-58359",
"created_at": "2022-09-04T14:37:57.029623Z",
"updated_at": "2022-09-04T14:37:57.029635Z",
"structure_string": "Sc2 U2 S6\n1.0\n3.715073 -0.000000 -0.000000\n-1.857536 6.071055 0.000000\n0.000000 0.000000 9.137973\nSc U S\n2 2 6\ndirect\n0.500000 0.000000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.750892 0.501787 0.250000 U\n0.249106 0.498214 0.750000 U\n0.857966 0.715935 0.937235 S\n0.142032 0.284066 0.062764 S\n0.142032 0.284066 0.437235 S\n0.857966 0.715935 0.562764 S\n0.583389 0.166779 0.750000 S\n0.416609 0.833222 0.250000 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"U",
"S"
],
"chemical_system": "S-Sc-U",
"density": 6.110024078505028,
"density_atomic": 0.04851975622856625,
"volume": 206.10161256565524,
"volume_molar": 12.411729217333606,
"formula_full": "Sc2 U2 S6",
"formula_reduced": "ScUS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.67025425,
"spacegroup": 63
},
{
"id": "jvasp-97355",
"created_at": "2022-09-04T14:36:17.401509Z",
"updated_at": "2022-09-04T14:36:17.401534Z",
"structure_string": "Sc4 U12 S24\n1.0\n3.768893 0.000000 0.000000\n0.000000 13.373972 0.000000\n0.000000 0.000000 16.437898\nSc U S\n4 12 24\ndirect\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Sc\n0.000000 0.948764 0.784251 U\n0.500000 0.678733 0.849796 U\n0.000000 0.178733 0.650205 U\n0.500000 0.321267 0.150205 U\n0.500000 0.251124 0.900967 U\n0.500000 0.748876 0.099033 U\n0.000000 0.751124 0.599033 U\n0.000000 0.248876 0.400967 U\n0.500000 0.551236 0.284251 U\n0.500000 0.448764 0.715749 U\n0.000000 0.821267 0.349796 U\n0.000000 0.051236 0.215749 U\n0.000000 0.626596 0.392466 S\n0.500000 0.873404 0.892466 S\n0.500000 0.126596 0.107534 S\n0.000000 0.373404 0.607534 S\n0.500000 0.813813 0.712882 S\n0.000000 0.092469 0.921727 S\n0.500000 0.186187 0.287118 S\n0.000000 0.313813 0.787118 S\n0.000000 0.686187 0.212882 S\n0.500000 0.525200 0.106242 S\n0.500000 0.474800 0.893759 S\n0.000000 0.025200 0.393759 S\n0.000000 0.974800 0.606242 S\n0.500000 0.407531 0.421727 S\n0.500000 0.810877 0.476540 S\n0.000000 0.310877 0.023460 S\n0.000000 0.689123 0.976540 S\n0.500000 0.899910 0.245381 S\n0.500000 0.100090 0.754619 S\n0.000000 0.399910 0.254619 S\n0.000000 0.600090 0.745382 S\n0.000000 0.907530 0.078273 S\n0.500000 0.189123 0.523460 S\n0.500000 0.592469 0.578273 S\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Sc",
"U",
"S"
],
"chemical_system": "S-Sc-U",
"density": 7.627226390852902,
"density_atomic": 0.048276913070191003,
"volume": 828.5533903512639,
"volume_molar": 12.474162859676344,
"formula_full": "Sc4 U12 S24",
"formula_reduced": "Sc(US2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.645356325,
"spacegroup": 58
},
{
"id": "jvasp-21869",
"created_at": "2022-09-04T14:37:29.090171Z",
"updated_at": "2022-09-04T14:37:29.090198Z",
"structure_string": "Sc2 U6 Sb10\n1.0\n4.561599 -7.900921 0.000000\n4.561599 7.900921 -0.000000\n0.000000 0.000000 6.175020\nSc U Sb\n2 6 10\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.387679 0.000000 0.250000 U\n0.000000 0.612321 0.750000 U\n0.387679 0.387679 0.750000 U\n0.612321 0.612321 0.250000 U\n0.000000 0.387679 0.250000 U\n0.612321 0.000000 0.750000 U\n0.000000 0.729841 0.250000 Sb\n0.270159 0.000000 0.750000 Sb\n0.333333 0.666667 0.000000 Sb\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666667 0.500000 Sb\n0.729841 0.000000 0.250000 Sb\n0.666667 0.333333 0.000000 Sb\n0.270159 0.270159 0.250000 Sb\n0.000000 0.270159 0.750000 Sb\n0.729841 0.729841 0.750000 Sb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sc",
"U",
"Sb"
],
"chemical_system": "Sb-Sc-U",
"density": 10.205917264663526,
"density_atomic": 0.04043982958133421,
"volume": 445.10573329191897,
"volume_molar": 14.891607660927523,
"formula_full": "Sc2 U6 Sb10",
"formula_reduced": "ScU3Sb5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 3.717969305555556,
"spacegroup": 193
},
{
"id": "jvasp-123527",
"created_at": "2022-09-04T14:38:54.514166Z",
"updated_at": "2022-09-04T14:38:54.514201Z",
"structure_string": "Sc1 U3\n1.0\n2.866171 0.000000 0.000000\n0.000000 5.708824 0.000000\n0.000000 0.000000 5.072137\nSc U\n1 3\ndirect\n0.000000 0.107378 0.750000 Sc\n0.500000 0.396040 0.250000 U\n0.500000 0.607494 0.750000 U\n0.000000 0.889086 0.250000 U\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"U"
],
"chemical_system": "Sc-U",
"density": 15.187124214817452,
"density_atomic": 0.04819702858951708,
"volume": 82.9926681594227,
"volume_molar": 12.49483824260034,
"formula_full": "Sc1 U3",
"formula_reduced": "ScU3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.1541383125,
"spacegroup": 25
},
{
"id": "jvasp-7781",
"created_at": "2022-09-04T14:37:03.816852Z",
"updated_at": "2022-09-04T14:37:03.816871Z",
"structure_string": "Sc1 Tl1 Te2\n1.0\n4.108155 -0.001509 7.384829\n1.914665 3.634693 7.384829\n-0.002502 -0.001509 8.450599\nSc Tl Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500002 0.499999 0.499999 Tl\n0.734492 0.734488 0.734488 Te\n0.265511 0.265510 0.265510 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Tl",
"Te"
],
"chemical_system": "Sc-Te-Tl",
"density": 6.633500342020041,
"density_atomic": 0.031670777497435,
"volume": 126.29939382839459,
"volume_molar": 19.014818188431686,
"formula_full": "Sc1 Tl1 Te2",
"formula_reduced": "ScTlTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7038458458333335,
"spacegroup": 166
},
{
"id": "jvasp-1777",
"created_at": "2022-09-04T14:36:37.228697Z",
"updated_at": "2022-09-04T14:36:37.228718Z",
"structure_string": "Sc1 Tl1 Se2\n1.0\n3.818980 -0.010222 7.063302\n1.779289 3.379179 7.063302\n-0.016985 -0.010222 8.029605\nSc Tl Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.499999 0.500001 0.500000 Tl\n0.731631 0.731633 0.731631 Se\n0.268368 0.268369 0.268368 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Tl",
"Se"
],
"chemical_system": "Sc-Se-Tl",
"density": 6.482515834685705,
"density_atomic": 0.03834277698194547,
"volume": 104.32212570006305,
"volume_molar": 15.70606313370483,
"formula_full": "Sc1 Tl1 Se2",
"formula_reduced": "ScTlSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8529711458333334,
"spacegroup": 166
}
]
}