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=-energy_above_hull&page=1043",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1041",
"results": [
{
"id": "jvasp-11792",
"created_at": "2022-09-04T14:37:17.297451Z",
"updated_at": "2022-09-04T14:37:17.297471Z",
"structure_string": "Ni2 C2 O6\n1.0\n4.191576 -0.014090 3.647125\n1.652565 3.852082 3.647125\n-0.021455 -0.014090 5.556110\nNi C O\n2 2 6\ndirect\n0.500002 0.500000 0.499998 Ni\n0.000000 0.000000 0.000000 Ni\n0.750003 0.750000 0.749997 C\n0.250001 0.250000 0.249999 C\n0.470131 0.029871 0.749999 O\n0.750001 0.470129 0.029869 O\n0.970131 0.250000 0.529868 O\n0.529873 0.970129 0.249998 O\n0.250002 0.529870 0.970128 O\n0.029872 0.750000 0.470128 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ni",
"C",
"O"
],
"chemical_system": "C-Ni-O",
"density": 4.366973416064597,
"density_atomic": 0.11077514342943337,
"volume": 90.27295917129874,
"volume_molar": 5.436364669512939,
"formula_full": "Ni2 C2 O6",
"formula_reduced": "NiCO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.80983058,
"spacegroup": 167
},
{
"id": "jvasp-114465",
"created_at": "2022-09-04T14:38:41.141738Z",
"updated_at": "2022-09-04T14:38:41.141774Z",
"structure_string": "B2 Br1\n1.0\n8.328137 0.000000 -4.397166\n0.000000 3.421533 0.000000\n-5.119897 0.000000 4.749852\nB Br\n2 1\ndirect\n-0.212842 0.000000 -0.331060 B\n0.292830 0.000000 0.173670 B\n0.082231 0.000000 0.345612 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"Br"
],
"chemical_system": "B-Br",
"density": 2.8908423092075126,
"density_atomic": 0.051442170400766166,
"volume": 58.31791265081068,
"volume_molar": 11.706622627085554,
"formula_full": "B2 Br1",
"formula_reduced": "B2Br",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8098197572222228,
"spacegroup": 6
},
{
"id": "jvasp-119003",
"created_at": "2022-09-04T14:38:32.326319Z",
"updated_at": "2022-09-04T14:38:32.326347Z",
"structure_string": "Li4 Nb3 Ni3 Te2 O16\n1.0\n6.075136 -0.078873 0.076096\n3.118806 5.214072 0.076096\n0.033874 0.018920 10.380062\nLi Nb Ni Te O\n4 3 3 2 16\ndirect\n0.665224 0.665223 0.901021 Li\n0.994103 0.994102 0.981743 Li\n0.994009 0.994008 0.501056 Li\n0.335393 0.335393 0.406413 Li\n0.843018 0.343983 0.219495 Nb\n0.343983 0.843017 0.219495 Nb\n0.181447 0.181447 0.731257 Nb\n0.657116 0.167750 0.715721 Ni\n0.167750 0.657116 0.715721 Ni\n0.828936 0.828935 0.210720 Ni\n0.670693 0.670692 0.518506 Te\n0.359965 0.359965 0.991649 Te\n0.144343 0.144343 0.100970 O\n0.685292 0.180040 0.088949 O\n0.324174 0.324174 0.602360 O\n0.013455 0.481729 0.835510 O\n0.481729 0.013456 0.835510 O\n0.834161 0.834160 0.603595 O\n0.482423 0.995506 0.323164 O\n0.507602 0.507602 0.321851 O\n0.331307 0.835798 0.603487 O\n0.002975 0.002975 0.800511 O\n0.994437 0.994436 0.314434 O\n0.661926 0.661925 0.101653 O\n0.484096 0.484096 0.847141 O\n0.835798 0.331307 0.603487 O\n0.995507 0.482422 0.323164 O\n0.180041 0.685291 0.088949 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Ni",
"Te",
"O"
],
"chemical_system": "Li-Nb-Ni-O-Te",
"density": 4.98033736107754,
"density_atomic": 0.08450626748531245,
"volume": 331.33637105515896,
"volume_molar": 7.126265233577704,
"formula_full": "Li4 Nb3 Ni3 Te2 O16",
"formula_reduced": "Li4Nb3Ni3(TeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.809713819047619,
"spacegroup": 8
},
{
"id": "jvasp-40588",
"created_at": "2022-09-04T14:37:58.273794Z",
"updated_at": "2022-09-04T14:37:58.273828Z",
"structure_string": "Al1 Fe2 Si1\n1.0\n-0.000000 2.807299 2.807299\n2.807299 0.000000 2.807299\n2.807299 2.807299 0.000000\nAl Fe Si\n1 2 1\ndirect\n0.249999 0.249999 0.249999 Al\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.749999 0.749999 0.749999 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Fe",
"Si"
],
"chemical_system": "Al-Fe-Si",
"density": 6.258024555143218,
"density_atomic": 0.0903990741980772,
"volume": 44.248240764451104,
"volume_molar": 6.661728356647363,
"formula_full": "Al1 Fe2 Si1",
"formula_reduced": "AlFe2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8095731,
"spacegroup": 225
},
{
"id": "jvasp-9427",
"created_at": "2022-09-04T14:37:08.317354Z",
"updated_at": "2022-09-04T14:37:08.317386Z",
"structure_string": "Mg4 Si4 N8\n1.0\n5.025917 0.000000 0.000000\n0.000000 5.311121 0.000000\n0.000000 0.000000 6.486314\nMg Si N\n4 4 8\ndirect\n0.988861 0.584446 0.877094 Mg\n0.488861 0.915554 0.377095 Mg\n0.488861 0.415554 0.122905 Mg\n0.988861 0.084446 0.622905 Mg\n-0.000019 0.070507 0.125429 Si\n0.499981 0.929492 0.874570 Si\n0.499981 0.429492 0.625429 Si\n-0.000019 0.570507 0.374570 Si\n0.409707 0.608854 0.845043 N\n0.909707 0.391146 0.154957 N\n0.909707 0.891146 0.345043 N\n0.409707 0.108854 0.654957 N\n0.347472 0.549409 0.404056 N\n0.347472 0.049409 0.095944 N\n0.847472 0.950591 0.904055 N\n0.847472 0.450591 0.595944 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Si",
"N"
],
"chemical_system": "Mg-N-Si",
"density": 3.0845138644612518,
"density_atomic": 0.09241032673478014,
"volume": 173.1408227342425,
"volume_molar": 6.516740036298853,
"formula_full": "Mg4 Si4 N8",
"formula_reduced": "MgSiN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8091660374999994,
"spacegroup": 33
},
{
"id": "jvasp-16743",
"created_at": "2022-09-04T14:37:52.787132Z",
"updated_at": "2022-09-04T14:37:52.787153Z",
"structure_string": "Fe2 N2\n1.0\n1.368280 -2.369930 0.000000\n1.368280 2.369930 -0.000000\n-0.000000 -0.000000 4.976093\nFe N\n2 2\ndirect\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.250000 N\n0.333333 0.666667 0.750000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"N"
],
"chemical_system": "Fe-N",
"density": 7.188314859138663,
"density_atomic": 0.12394557018338102,
"volume": 32.27223041599539,
"volume_molar": 4.858697855106939,
"formula_full": "Fe2 N2",
"formula_reduced": "FeN",
"formula_anonymous": "AB",
"energy_above_hull": 2.809124375,
"spacegroup": 194
},
{
"id": "jvasp-4783",
"created_at": "2022-09-04T14:37:01.070898Z",
"updated_at": "2022-09-04T14:37:01.070924Z",
"structure_string": "Fe2 N2\n1.0\n1.368280 -2.369931 0.000000\n1.368280 2.369931 0.000000\n0.000000 0.000000 4.976092\nFe N\n2 2\ndirect\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.250000 N\n0.333333 0.666667 0.750000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"N"
],
"chemical_system": "Fe-N",
"density": 7.188313270575832,
"density_atomic": 0.12394554279235408,
"volume": 32.272237547914074,
"volume_molar": 4.858698928842395,
"formula_full": "Fe2 N2",
"formula_reduced": "FeN",
"formula_anonymous": "AB",
"energy_above_hull": 2.809124375,
"spacegroup": 194
},
{
"id": "jvasp-119217",
"created_at": "2022-09-04T14:38:53.263647Z",
"updated_at": "2022-09-04T14:38:53.263679Z",
"structure_string": "Al2 Co3 Ge1 O8\n1.0\n5.073135 0.079807 -2.916865\n-1.618679 4.724668 -3.050993\n-0.002611 -0.079807 5.851905\nAl Co Ge O\n2 3 1 8\ndirect\n0.617550 0.376071 0.241480 Al\n0.134592 0.376071 0.758521 Al\n0.245771 0.745771 0.500000 Co\n0.624780 0.394941 0.770161 Co\n0.624780 0.854619 0.229841 Co\n0.013723 0.013723 0.000000 Ge\n0.876760 0.138931 0.262173 O\n0.876760 0.614587 0.737829 O\n0.889165 0.142724 0.746441 O\n0.396284 0.142724 0.253561 O\n0.377671 0.598602 0.220932 O\n0.377671 0.156740 0.779068 O\n0.344976 0.597250 0.747726 O\n0.849525 0.597250 0.252276 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Al",
"Co",
"Ge",
"O"
],
"chemical_system": "Al-Co-Ge-O",
"density": 5.139857707603453,
"density_atomic": 0.10045048678768774,
"volume": 139.37214689253238,
"volume_molar": 5.995133475787333,
"formula_full": "Al2 Co3 Ge1 O8",
"formula_reduced": "Al2Co3GeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.809123732142857,
"spacegroup": 44
},
{
"id": "jvasp-95392",
"created_at": "2022-09-04T14:35:44.871664Z",
"updated_at": "2022-09-04T14:35:44.871693Z",
"structure_string": "Cr4 Cu2 O8\n1.0\n5.112450 -0.009093 -2.944786\n-3.402174 4.820177 -0.010333\n-0.006418 0.009093 5.899904\nCr Cu O\n4 2 8\ndirect\n0.000000 0.500000 0.500000 Cr\n1.000000 0.500000 0.000000 Cr\n0.499999 0.499999 0.499999 Cr\n0.500000 -0.000000 0.499999 Cr\n0.750001 0.875001 0.125001 Cu\n0.250001 0.125001 0.874999 Cu\n0.472620 0.736276 0.708895 O\n0.027382 0.736276 0.263657 O\n0.027381 0.291105 0.263725 O\n0.527381 0.263656 0.736275 O\n0.972620 0.708895 0.736274 O\n0.972621 0.263726 0.736344 O\n0.472620 0.736344 0.263725 O\n0.527381 0.263726 0.291105 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cr",
"Cu",
"O"
],
"chemical_system": "Cr-Cu-O",
"density": 5.295467981912991,
"density_atomic": 0.09641289818560059,
"volume": 145.20878703437754,
"volume_molar": 6.246198250784889,
"formula_full": "Cr4 Cu2 O8",
"formula_reduced": "Cr2CuO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.809101321428572,
"spacegroup": 227
},
{
"id": "jvasp-51065",
"created_at": "2022-09-04T14:38:19.031267Z",
"updated_at": "2022-09-04T14:38:19.031276Z",
"structure_string": "Ti12 Al8 Ni4 O4\n1.0\n6.976149 0.000000 4.027682\n2.325384 6.577176 4.027682\n0.000000 0.000000 8.055362\nTi Al Ni O\n12 8 4 4\ndirect\n0.809299 0.440701 0.440701 Ti\n0.559299 0.559299 0.190701 Ti\n0.190701 0.190701 0.559299 Ti\n0.559299 0.190701 0.190701 Ti\n0.559299 0.190701 0.559298 Ti\n0.190701 0.559299 0.190701 Ti\n0.440701 0.809299 0.440701 Ti\n0.440701 0.440701 0.809298 Ti\n0.809298 0.809299 0.440701 Ti\n0.809299 0.440701 0.809298 Ti\n0.190701 0.559299 0.559299 Ti\n0.440701 0.809299 0.809298 Ti\n0.791776 0.791777 0.791776 Al\n0.208224 0.208224 0.875328 Al\n0.208223 0.875329 0.208223 Al\n0.875328 0.208224 0.208223 Al\n0.791776 0.791777 0.124671 Al\n0.124671 0.791777 0.791776 Al\n0.208224 0.208224 0.208223 Al\n0.791776 0.124672 0.791776 Al\n0.500000 -0.000000 -0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n-0.000000 -0.000000 0.500000 Ni\n-0.000000 0.500000 -0.000000 Ni\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ti",
"Al",
"Ni",
"O"
],
"chemical_system": "Al-Ni-O-Ti",
"density": 4.8926897135190615,
"density_atomic": 0.0757561260678366,
"volume": 369.60707276566797,
"volume_molar": 7.949377921737198,
"formula_full": "Ti12 Al8 Ni4 O4",
"formula_reduced": "Ti3Al2NiO",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.8090409285714286,
"spacegroup": 227
},
{
"id": "jvasp-94303",
"created_at": "2022-09-04T14:36:04.649523Z",
"updated_at": "2022-09-04T14:36:04.649557Z",
"structure_string": "Zr2 Sc4\n1.0\n0.000000 3.255708 0.000000\n5.709200 -1.627854 1.337994\n0.013919 0.000000 -7.598304\nZr Sc\n2 4\ndirect\n0.473553 0.947103 0.192942 Zr\n0.526449 0.052897 0.807058 Zr\n0.807952 0.615902 0.862332 Sc\n0.192049 0.384098 0.137668 Sc\n0.865988 0.731974 0.474000 Sc\n0.134014 0.268026 0.526000 Sc\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Sc"
],
"chemical_system": "Sc-Zr",
"density": 4.2575491331571715,
"density_atomic": 0.0424646427445776,
"volume": 141.2940180867565,
"volume_molar": 14.18154109107389,
"formula_full": "Zr2 Sc4",
"formula_reduced": "ZrSc2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.808898333333333,
"spacegroup": 12
},
{
"id": "jvasp-11183",
"created_at": "2022-09-04T14:37:04.884167Z",
"updated_at": "2022-09-04T14:37:04.884202Z",
"structure_string": "Ta2 Al2 O8\n1.0\n3.800817 0.000000 0.000000\n-1.900409 5.830301 -1.866558\n0.000000 0.002008 6.517377\nTa Al O\n2 2 8\ndirect\n0.894505 0.789009 0.766749 Ta\n0.105495 0.210991 0.233251 Ta\n0.799532 0.599065 0.179660 Al\n0.200468 0.400936 0.820340 Al\n0.358169 0.716338 0.797154 O\n0.641832 0.283662 0.202847 O\n0.942309 0.884618 0.134740 O\n0.057691 0.115382 0.865260 O\n0.140813 0.281627 0.526060 O\n0.859187 0.718374 0.473940 O\n0.262393 0.524785 0.142173 O\n0.737607 0.475215 0.857827 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Al",
"O"
],
"chemical_system": "Al-O-Ta",
"density": 6.252415608473665,
"density_atomic": 0.0830802185625732,
"volume": 144.43871486642766,
"volume_molar": 7.248585600992767,
"formula_full": "Ta2 Al2 O8",
"formula_reduced": "TaAlO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.808886,
"spacegroup": 12
}
]
}