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=-nelements&page=495",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=493",
"results": [
{
"id": "jvasp-46500",
"created_at": "2022-09-04T14:38:11.581319Z",
"updated_at": "2022-09-04T14:38:11.581349Z",
"structure_string": "Li1 Al2 Fe1 O6\n1.0\n4.901620 0.021512 -0.047411\n2.459826 4.239764 0.047411\n-0.883921 1.526993 4.885337\nLi Al Fe O\n1 2 1 6\ndirect\n0.500001 0.499999 0.500000 Li\n0.330954 0.330953 0.000000 Al\n0.669047 0.669045 0.000000 Al\n0.000000 0.000000 0.000000 Fe\n0.081412 0.595358 0.201090 O\n0.256625 0.743375 0.800979 O\n0.595360 0.081410 0.798910 O\n0.404642 0.918588 0.201090 O\n0.743377 0.256623 0.199022 O\n0.918591 0.404639 0.798910 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-Li-O",
"density": 3.513201210881948,
"density_atomic": 0.09944743594974502,
"volume": 100.55563428556792,
"volume_molar": 6.0556018387877195,
"formula_full": "Li1 Al2 Fe1 O6",
"formula_reduced": "LiAl2FeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.39655921,
"spacegroup": 12
},
{
"id": "jvasp-57358",
"created_at": "2022-09-04T14:38:17.734283Z",
"updated_at": "2022-09-04T14:38:17.734309Z",
"structure_string": "Cu2 W2 O6 F4\n1.0\n0.000000 3.733931 0.021676\n9.670615 0.000000 0.000000\n0.000000 -1.443131 -5.060031\nCu W O F\n2 2 6 4\ndirect\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.784827 0.250000 0.968874 W\n0.215173 0.750000 0.031125 W\n0.124626 0.608341 0.808007 O\n0.875374 0.391659 0.191992 O\n0.875374 0.108341 0.191992 O\n0.255338 0.250000 0.888267 O\n0.744662 0.750000 0.111732 O\n0.124626 0.891660 0.808007 O\n0.345632 0.888733 0.357415 F\n0.654368 0.111267 0.642585 F\n0.654368 0.388733 0.642585 F\n0.345632 0.611267 0.357415 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Cu",
"W",
"O",
"F"
],
"chemical_system": "Cu-F-O-W",
"density": 6.069683102891614,
"density_atomic": 0.07674924404087778,
"volume": 182.41222014569152,
"volume_molar": 7.846514757581871,
"formula_full": "Cu2 W2 O6 F4",
"formula_reduced": "CuWO3F2",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.0609530735714285,
"spacegroup": 11
},
{
"id": "jvasp-108707",
"created_at": "2022-09-04T14:38:10.978883Z",
"updated_at": "2022-09-04T14:38:10.978900Z",
"structure_string": "Ba2 Sm1 U1 O6\n1.0\n5.439486 -0.000000 3.140489\n1.813162 5.128397 3.140489\n-0.000000 -0.000000 6.280978\nBa Sm U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 U\n0.758050 0.241951 0.241951 O\n0.241950 0.758050 0.758050 O\n0.241950 0.758050 0.241951 O\n0.758050 0.241951 0.758049 O\n0.241951 0.241951 0.758050 O\n0.758049 0.758050 0.241951 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Sm",
"U",
"O"
],
"chemical_system": "Ba-O-Sm-U",
"density": 7.193605092705406,
"density_atomic": 0.057073331887245185,
"volume": 175.21318047027864,
"volume_molar": 10.551584357993011,
"formula_full": "Ba2 Sm1 U1 O6",
"formula_reduced": "Ba2SmUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.2265277815,
"spacegroup": 225
},
{
"id": "jvasp-29729",
"created_at": "2022-09-04T14:38:06.800724Z",
"updated_at": "2022-09-04T14:38:06.800738Z",
"structure_string": "Fe4 Bi4 Sb4 S16\n1.0\n3.672029 0.000000 0.000000\n0.000000 11.551244 0.000000\n0.000000 0.000000 13.798508\nFe Bi Sb S\n4 4 4 16\ndirect\n0.250000 0.329250 0.342823 Fe\n0.750000 0.670750 0.657177 Fe\n0.250000 0.829249 0.157177 Fe\n0.750000 0.170750 0.842823 Fe\n0.750000 0.527730 0.109605 Bi\n0.250000 0.972270 0.609605 Bi\n0.250000 0.472270 0.890395 Bi\n0.750000 0.027730 0.390395 Bi\n0.750000 0.851819 0.920250 Sb\n0.250000 0.148180 0.079751 Sb\n0.750000 0.351819 0.579751 Sb\n0.250000 0.648180 0.420249 Sb\n0.750000 0.437408 0.402668 S\n0.750000 0.217835 0.285805 S\n0.250000 0.394342 0.193178 S\n0.250000 0.282164 0.785805 S\n0.750000 0.264741 0.988662 S\n0.250000 0.735259 0.011338 S\n0.750000 0.105658 0.693178 S\n0.250000 0.062592 0.902668 S\n0.750000 0.605657 0.806822 S\n0.750000 0.717835 0.214195 S\n0.250000 0.562592 0.597332 S\n0.250000 0.235259 0.488662 S\n0.250000 0.894342 0.306822 S\n0.750000 0.937408 0.097332 S\n0.750000 0.764741 0.511338 S\n0.250000 0.782164 0.714195 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Fe",
"Bi",
"Sb",
"S"
],
"chemical_system": "Bi-Fe-S-Sb",
"density": 5.842771952363277,
"density_atomic": 0.047839985744283324,
"volume": 585.2844553438414,
"volume_molar": 12.588090624001955,
"formula_full": "Fe4 Bi4 Sb4 S16",
"formula_reduced": "FeBiSbS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.1606951285714286,
"spacegroup": 62
},
{
"id": "jvasp-44074",
"created_at": "2022-09-04T14:38:17.727310Z",
"updated_at": "2022-09-04T14:38:17.727332Z",
"structure_string": "Li4 Fe3 Si3 O12\n1.0\n4.312982 0.004990 0.004571\n-2.150905 -4.903431 0.074909\n-2.144753 0.683281 -11.660274\nLi Fe Si O\n4 3 3 12\ndirect\n0.251116 0.917071 0.579815 Li\n0.754122 0.749308 0.753549 Li\n0.750082 0.422157 0.081918 Li\n0.246098 0.244778 0.251374 Li\n0.501620 0.833508 0.166692 Fe\n0.491699 0.488990 0.496193 Fe\n0.506401 0.177436 0.837116 Fe\n0.995998 0.664798 0.332712 Si\n0.005396 0.333197 0.666663 Si\n0.998569 0.002048 0.000629 Si\n0.866458 0.248176 0.968144 O\n0.343078 0.443043 0.773744 O\n0.337105 0.113532 0.110457 O\n0.650193 0.418623 0.365143 O\n0.113263 0.553422 0.222862 O\n0.108590 0.911885 0.886742 O\n0.888606 0.587772 0.628272 O\n0.896593 0.921417 0.288792 O\n0.309958 0.754684 0.446621 O\n0.126176 0.223370 0.559584 O\n0.686456 0.745514 0.044584 O\n0.672434 0.078606 0.705057 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.180507946425372,
"density_atomic": 0.08936014912203172,
"volume": 246.1947547777302,
"volume_molar": 6.739179398387154,
"formula_full": "Li4 Fe3 Si3 O12",
"formula_reduced": "Li4Fe3(SiO4)3",
"formula_anonymous": "A3B3C4D12",
"energy_above_hull": 2.867868831818181,
"spacegroup": 5
},
{
"id": "jvasp-109854",
"created_at": "2022-09-04T14:38:17.815546Z",
"updated_at": "2022-09-04T14:38:17.815570Z",
"structure_string": "K2 Y1 Ag1 F6\n1.0\n5.557927 -0.000000 3.208871\n1.852642 5.240064 3.208871\n-0.000000 -0.000000 6.417741\nK Y Ag F\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.737261 0.262739 0.262739 F\n0.262739 0.262739 0.737261 F\n0.262739 0.737260 0.737261 F\n0.262739 0.737260 0.262739 F\n0.737261 0.262739 0.737260 F\n0.737261 0.737260 0.262739 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Y",
"Ag",
"F"
],
"chemical_system": "Ag-F-K-Y",
"density": 3.4556012055333247,
"density_atomic": 0.05350179883076819,
"volume": 186.90960338793562,
"volume_molar": 11.255959409979212,
"formula_full": "K2 Y1 Ag1 F6",
"formula_reduced": "K2YAgF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108745",
"created_at": "2022-09-04T14:38:17.767007Z",
"updated_at": "2022-09-04T14:38:17.767016Z",
"structure_string": "Nd1 Sm1 Mn4 Ge4\n1.0\n3.985557 -0.000000 0.000000\n0.000000 3.985557 0.000000\n-0.000000 -0.000000 10.912024\nNd Sm Mn Ge\n1 1 4 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Sm\n-0.000000 0.500000 0.251800 Mn\n0.500000 0.000000 0.748200 Mn\n0.500000 0.000000 0.251800 Mn\n-0.000000 0.500000 0.748200 Mn\n0.500000 0.500000 0.125101 Ge\n0.000000 0.000000 0.621880 Ge\n0.000000 0.000000 0.378120 Ge\n0.500000 0.500000 0.874899 Ge\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Nd",
"Sm",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Nd-Sm",
"density": 7.711081868037803,
"density_atomic": 0.05769213860445979,
"volume": 173.3338413498675,
"volume_molar": 10.438407910804106,
"formula_full": "Nd1 Sm1 Mn4 Ge4",
"formula_reduced": "NdSm(MnGe)4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 2.748125314051724,
"spacegroup": 123
},
{
"id": "jvasp-51701",
"created_at": "2022-09-04T14:38:26.789838Z",
"updated_at": "2022-09-04T14:38:26.789867Z",
"structure_string": "Ba2 H10 Cl2 O6\n1.0\n4.532074 -0.000000 -0.000000\n0.000000 4.532074 0.000000\n0.000000 -0.000000 11.476453\nBa H Cl O\n2 10 2 6\ndirect\n0.500000 0.000000 0.818969 Ba\n0.000000 0.500000 0.181031 Ba\n0.500000 0.000000 0.519949 H\n0.000000 0.500000 0.480051 H\n0.500000 0.317935 0.375407 H\n0.182064 0.000000 0.375407 H\n0.500000 0.682064 0.375407 H\n0.000000 0.817935 0.624593 H\n0.000000 0.182064 0.624593 H\n0.317935 0.500000 0.624593 H\n0.682064 0.500000 0.624593 H\n0.817935 0.000000 0.375407 H\n0.000000 0.500000 0.903453 Cl\n0.500000 0.000000 0.096546 Cl\n0.000000 0.500000 0.564895 O\n0.500000 0.500000 0.676930 O\n0.000000 0.000000 0.676930 O\n0.000000 0.000000 0.323070 O\n0.500000 0.500000 0.323070 O\n0.500000 0.000000 0.435105 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"H",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-H-O",
"density": 3.1815282962318525,
"density_atomic": 0.08484540525109986,
"volume": 235.72284133489643,
"volume_molar": 7.097780654329463,
"formula_full": "Ba2 H10 Cl2 O6",
"formula_reduced": "BaH5ClO3",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.23823805375,
"spacegroup": 129
},
{
"id": "jvasp-42543",
"created_at": "2022-09-04T14:38:17.734649Z",
"updated_at": "2022-09-04T14:38:17.734672Z",
"structure_string": "Li2 Fe3 O3 F5\n1.0\n5.853781 0.000557 0.000506\n-2.926549 -5.085777 0.048397\n-2.926555 1.661896 -4.780917\nLi Fe O F\n2 3 3 5\ndirect\n0.741360 0.626644 0.377119 Li\n0.262404 0.626646 0.377117 Li\n0.225844 0.585070 0.866616 Fe\n0.507799 0.253107 0.762510 Fe\n0.764507 0.149663 0.379351 Fe\n0.754600 0.365209 0.610349 O\n0.755817 0.360863 0.150770 O\n0.220966 0.365220 0.610350 O\n0.230262 0.845319 0.615201 F\n0.723948 0.882045 0.136290 F\n0.278295 0.411629 0.144964 F\n0.739813 0.896556 0.583075 F\n0.294376 0.882025 0.136284 F\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.797766831278571,
"density_atomic": 0.09164991068317992,
"volume": 141.84410986431905,
"volume_molar": 6.570809196767952,
"formula_full": "Li2 Fe3 O3 F5",
"formula_reduced": "Li2Fe3O3F5",
"formula_anonymous": "A2B3C3D5",
"energy_above_hull": 1.5582706471153838,
"spacegroup": 8
},
{
"id": "jvasp-26754",
"created_at": "2022-09-04T14:38:29.323147Z",
"updated_at": "2022-09-04T14:38:29.323166Z",
"structure_string": "Nb2 Tl5 S4 Cl9\n1.0\n6.998979 0.000504 -0.001399\n-0.000783 9.529403 -0.000178\n-3.497901 -4.764818 7.900159\nNb Tl S Cl\n2 5 4 9\ndirect\n0.907176 0.907175 0.814350 Nb\n0.092824 0.092824 0.185649 Nb\n0.665331 0.448431 0.330665 Tl\n0.334669 0.551568 0.669335 Tl\n0.334680 0.117769 0.669336 Tl\n0.665321 0.882230 0.330663 Tl\n0.000000 0.500000 -0.000000 Tl\n0.743603 0.893826 -0.000006 S\n0.256405 0.893825 -0.000002 S\n0.256398 0.106173 0.000005 S\n0.743596 0.106174 0.000002 S\n0.500000 0.500000 -0.000000 Cl\n0.458512 0.211416 0.422828 Cl\n0.137414 0.872635 0.274807 Cl\n0.541489 0.788583 0.577171 Cl\n0.137403 0.402182 0.274817 Cl\n0.964314 0.211409 0.422817 Cl\n0.035686 0.788590 0.577183 Cl\n0.862598 0.597817 0.725182 Cl\n0.862586 0.127364 0.725192 Cl\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Nb",
"Tl",
"S",
"Cl"
],
"chemical_system": "Cl-Nb-S-Tl",
"density": 5.216408560399615,
"density_atomic": 0.03796095344636104,
"volume": 526.8571567429167,
"volume_molar": 15.86403979159614,
"formula_full": "Nb2 Tl5 S4 Cl9",
"formula_reduced": "Nb2Tl5S4Cl9",
"formula_anonymous": "A2B4C5D9",
"energy_above_hull": 0.9731879203749998,
"spacegroup": 71
},
{
"id": "jvasp-42931",
"created_at": "2022-09-04T14:38:11.004336Z",
"updated_at": "2022-09-04T14:38:11.004363Z",
"structure_string": "Li2 Co2 Si4 O12\n1.0\n-5.140398 0.036958 0.016420\n-0.036515 -5.140423 0.017315\n2.461525 2.428307 9.665674\nLi Co Si O\n2 2 4 12\ndirect\n0.111163 0.142439 0.331516 Li\n0.892440 0.361159 0.831517 Li\n0.716996 0.228152 0.505910 Co\n0.978152 0.966995 0.005910 Co\n0.398936 0.016537 0.833551 Si\n0.299927 0.430034 0.661466 Si\n0.180035 0.549922 0.161465 Si\n0.766539 0.648936 0.333550 Si\n0.800658 0.348504 0.361259 O\n0.763570 0.868382 0.475753 O\n0.494976 0.656597 0.213106 O\n0.406602 0.744972 0.713108 O\n0.359451 0.298124 0.510172 O\n0.048126 0.609450 0.010172 O\n0.618379 0.013569 0.975754 O\n0.144627 0.234581 0.163013 O\n0.984585 0.394627 0.663013 O\n0.098503 0.050654 0.861258 O\n0.483107 0.274851 0.775540 O\n0.024856 0.733108 0.275540 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 2.830402102808196,
"density_atomic": 0.07817352407645597,
"volume": 255.84109500346204,
"volume_molar": 7.7035554315169055,
"formula_full": "Li2 Co2 Si4 O12",
"formula_reduced": "LiCo(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.73229791,
"spacegroup": 9
},
{
"id": "jvasp-109774",
"created_at": "2022-09-04T14:38:11.008309Z",
"updated_at": "2022-09-04T14:38:11.008336Z",
"structure_string": "Ce1 In1 Cu1 Ag1\n1.0\n4.260776 -0.000000 2.459960\n1.420259 4.017098 2.459960\n-0.000000 -0.000000 4.919920\nCe In Cu Ag\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500001 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Cu\n0.750001 0.750000 0.749999 Ag\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ce",
"In",
"Cu",
"Ag"
],
"chemical_system": "Ag-Ce-Cu-In",
"density": 8.407257718762308,
"density_atomic": 0.04750078870320518,
"volume": 84.20912808401631,
"volume_molar": 12.677980564970383,
"formula_full": "Ce1 In1 Cu1 Ag1",
"formula_reduced": "CeInCuAg",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.1782682949999999,
"spacegroup": 216
}
]
}