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=nsites&page=3577",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3575",
"results": [
{
"id": "jvasp-58163",
"created_at": "2022-09-04T14:37:10.428997Z",
"updated_at": "2022-09-04T14:37:10.429026Z",
"structure_string": "Ba1 Ca1 Ag4 O8\n1.0\n2.910967 -5.041943 0.000000\n2.910967 5.041943 0.000000\n-0.000000 -0.000000 7.619377\nBa Ca Ag O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333334 0.666667 0.731453 Ag\n0.666667 0.333334 0.731453 Ag\n0.333334 0.666667 0.268547 Ag\n0.666667 0.333334 0.268547 Ag\n0.295819 0.295819 0.703391 O\n0.704181 0.000001 0.703391 O\n0.000001 0.704181 0.703391 O\n0.704182 0.704182 0.296610 O\n0.000000 0.295819 0.296610 O\n0.295819 0.000000 0.296610 O\n0.333334 0.666667 0.000000 O\n0.666667 0.333334 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Ag",
"O"
],
"chemical_system": "Ag-Ba-Ca-O",
"density": 5.470878491373963,
"density_atomic": 0.0625955361564536,
"volume": 223.65812100415408,
"volume_molar": 9.62071919145806,
"formula_full": "Ba1 Ca1 Ag4 O8",
"formula_reduced": "BaCa(AgO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 1.4967345307142854,
"spacegroup": 162
},
{
"id": "jvasp-50163",
"created_at": "2022-09-04T14:37:15.527676Z",
"updated_at": "2022-09-04T14:37:15.527726Z",
"structure_string": "Li6 Sb2 S6\n1.0\n6.925017 2.280027 2.479848\n1.737712 7.080593 2.479839\n1.737701 1.877707 7.263514\nLi Sb S\n6 2 6\ndirect\n0.090833 0.365816 0.686005 Li\n0.313994 0.909167 0.634184 Li\n0.365816 0.686006 0.090833 Li\n0.634184 0.313995 0.909167 Li\n0.686006 0.090833 0.365816 Li\n0.909167 0.634184 0.313994 Li\n0.181404 0.181404 0.181404 Sb\n0.818596 0.818596 0.818596 Sb\n0.039414 0.766860 0.429869 S\n0.233139 0.570132 0.960585 S\n0.429869 0.039415 0.766860 S\n0.570131 0.960586 0.233140 S\n0.766860 0.429869 0.039414 S\n0.960586 0.233140 0.570131 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Sb",
"S"
],
"chemical_system": "Li-S-Sb",
"density": 2.8067405265921406,
"density_atomic": 0.049551510497796686,
"volume": 282.53427311005004,
"volume_molar": 12.153294015664317,
"formula_full": "Li6 Sb2 S6",
"formula_reduced": "Li3SbS3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.3812823,
"spacegroup": 148
},
{
"id": "jvasp-56931",
"created_at": "2022-09-04T14:37:28.889154Z",
"updated_at": "2022-09-04T14:37:28.889183Z",
"structure_string": "Ti8 Co2 Bi4\n1.0\n4.619339 0.000000 1.517837\n2.309669 7.489332 0.758919\n-0.028226 -0.000000 7.873997\nTi Co Bi\n8 2 4\ndirect\n0.420164 0.272724 0.886948 Ti\n0.692889 0.886947 0.727276 Ti\n0.807111 0.272724 0.113053 Ti\n0.192889 0.727275 0.886948 Ti\n0.079835 0.113052 0.727276 Ti\n0.920165 0.886947 0.272725 Ti\n0.579836 0.727275 0.113053 Ti\n0.307111 0.113052 0.272725 Ti\n0.250000 -0.000000 0.000000 Co\n0.750000 -0.000000 0.000000 Co\n0.359803 0.780394 0.500001 Bi\n0.859803 0.500000 0.780395 Bi\n0.140197 0.500000 0.219606 Bi\n0.640197 0.219606 0.500001 Bi\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Co",
"Bi"
],
"chemical_system": "Bi-Co-Ti",
"density": 8.138819797263054,
"density_atomic": 0.05133323434919645,
"volume": 272.7277986180341,
"volume_molar": 11.731465660305249,
"formula_full": "Ti8 Co2 Bi4",
"formula_reduced": "Ti4CoBi2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.279337547619048,
"spacegroup": 140
},
{
"id": "jvasp-50688",
"created_at": "2022-09-04T14:37:28.815511Z",
"updated_at": "2022-09-04T14:37:28.815533Z",
"structure_string": "Li5 Ag1 F8\n1.0\n2.934521 1.645184 -4.809118\n-2.934521 5.227696 -0.002265\n2.934521 -1.645184 4.809118\nLi Ag F\n5 1 8\ndirect\n0.138374 0.415124 0.276749 Li\n0.500000 -0.000000 -0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.861626 0.584877 0.723250 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Ag\n0.258129 0.756404 0.007266 F\n0.263342 0.790026 0.526684 F\n0.749138 0.756403 0.007265 F\n0.749138 0.756404 0.498274 F\n0.250863 0.243597 0.501725 F\n0.250863 0.243597 0.992734 F\n0.736658 0.209975 0.473316 F\n0.741871 0.243597 0.992734 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 3.315468427843387,
"density_atomic": 0.0948963342025812,
"volume": 147.5294079338546,
"volume_molar": 6.346020434408094,
"formula_full": "Li5 Ag1 F8",
"formula_reduced": "Li5AgF8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 0.1409979378571428,
"spacegroup": 166
},
{
"id": "jvasp-59897",
"created_at": "2022-09-04T14:37:15.535129Z",
"updated_at": "2022-09-04T14:37:15.535154Z",
"structure_string": "Mg2 Mn4 S8\n1.0\n7.023806 0.002119 0.002678\n3.510642 6.200919 -0.000032\n3.508587 1.879520 5.909955\nMg Mn S\n2 4 8\ndirect\n0.000001 -0.000004 0.999998 Mg\n-0.000008 0.500003 0.500015 Mg\n-0.000002 -0.000002 0.500007 Mn\n0.499991 0.000010 0.000010 Mn\n0.499998 0.999996 0.500009 Mn\n0.500003 0.499998 0.499993 Mn\n0.746312 0.225079 0.282211 S\n0.758702 0.238552 0.738483 S\n0.746398 0.782215 0.725086 S\n0.735747 0.761518 0.261457 S\n0.253593 0.217788 0.274938 S\n0.241290 0.761451 0.261525 S\n0.264250 0.238480 0.738554 S\n0.253692 0.774909 0.717795 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"S"
],
"chemical_system": "Mg-Mn-S",
"density": 3.3871947265021713,
"density_atomic": 0.05440731252145944,
"volume": 257.3183520961101,
"volume_molar": 11.0686238318144,
"formula_full": "Mg2 Mn4 S8",
"formula_reduced": "Mg(MnS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.358544790394088,
"spacegroup": 74
},
{
"id": "jvasp-10152",
"created_at": "2022-09-04T14:37:15.620717Z",
"updated_at": "2022-09-04T14:37:15.620739Z",
"structure_string": "K6 Si2 Te6\n1.0\n8.042167 0.007927 -2.192684\n-3.470627 7.254741 -2.192684\n0.011874 0.018864 8.850473\nK Si Te\n6 2 6\ndirect\n0.793136 0.793136 0.325027 K\n0.500000 0.000000 0.000000 K\n0.656249 0.343751 0.500000 K\n0.343751 0.656248 0.500000 K\n-0.000000 0.500000 0.000000 K\n0.206863 0.206863 0.674974 K\n0.891457 0.891457 0.859846 Si\n0.108542 0.108542 0.140155 Si\n0.366466 0.366466 0.121575 Te\n0.633533 0.633533 0.878426 Te\n0.945493 0.251606 0.300140 Te\n0.748394 0.054507 0.699861 Te\n0.054506 0.748394 0.699860 Te\n0.251605 0.945493 0.300140 Te\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"Si",
"Te"
],
"chemical_system": "K-Si-Te",
"density": 3.3910686190513237,
"density_atomic": 0.027064701360486273,
"volume": 517.2789388483561,
"volume_molar": 22.25090415663023,
"formula_full": "K6 Si2 Te6",
"formula_reduced": "K3SiTe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.3787694142857141,
"spacegroup": 12
},
{
"id": "jvasp-54713",
"created_at": "2022-09-04T14:37:29.407128Z",
"updated_at": "2022-09-04T14:37:29.407164Z",
"structure_string": "Mo2 H4 O8\n1.0\n-3.856461 -0.052442 0.135605\n1.867629 5.411804 -0.311011\n-0.039734 -2.385314 -7.025105\nMo H O\n2 4 8\ndirect\n0.267336 0.094126 0.227882 Mo\n0.732663 0.905875 0.772119 Mo\n0.318351 0.626378 0.176900 H\n0.681648 0.373623 0.823101 H\n0.766495 0.521927 0.172901 H\n0.233504 0.478074 0.827100 H\n0.337136 0.197030 0.463609 O\n0.662863 0.802971 0.536392 O\n0.203694 0.935838 0.839281 O\n0.796305 0.064163 0.160720 O\n0.153339 0.731209 0.181895 O\n0.846660 0.268792 0.818107 O\n0.495652 0.406242 0.164531 O\n0.504347 0.593759 0.835470 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mo",
"H",
"O"
],
"chemical_system": "H-Mo-O",
"density": 3.628939789972822,
"density_atomic": 0.09445792929323539,
"volume": 148.21413199243835,
"volume_molar": 6.3754740391405935,
"formula_full": "Mo2 H4 O8",
"formula_reduced": "Mo(HO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.1618328428571427,
"spacegroup": 2
},
{
"id": "jvasp-10030",
"created_at": "2022-09-04T14:37:28.700919Z",
"updated_at": "2022-09-04T14:37:28.700936Z",
"structure_string": "Zn2 Cu4 O8\n1.0\n5.917433 0.007864 0.014413\n2.965527 5.120714 0.014413\n2.972754 1.716320 4.854487\nZn Cu O\n2 4 8\ndirect\n0.125000 0.624999 0.625000 Zn\n0.625000 0.124999 0.625000 Zn\n0.992289 0.992287 0.007711 Cu\n0.257712 0.257712 0.242288 Cu\n0.625001 0.624999 0.124999 Cu\n0.625000 0.624999 0.625000 Cu\n0.394944 0.394943 0.367137 O\n0.393452 0.859575 0.373486 O\n0.394944 0.394943 0.842976 O\n0.859576 0.393450 0.373486 O\n0.390425 0.856548 0.876513 O\n0.856549 0.390424 0.876513 O\n0.855057 0.855055 0.407023 O\n0.855057 0.855055 0.882862 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Cu",
"O"
],
"chemical_system": "Cu-O-Zn",
"density": 5.80704437061849,
"density_atomic": 0.09543750737064735,
"volume": 146.69285049146018,
"volume_molar": 6.310035672465775,
"formula_full": "Zn2 Cu4 O8",
"formula_reduced": "Zn(CuO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.0661121857142857,
"spacegroup": 74
},
{
"id": "jvasp-11175",
"created_at": "2022-09-04T14:37:09.853283Z",
"updated_at": "2022-09-04T14:37:09.853309Z",
"structure_string": "Sr6 P8\n1.0\n5.543306 -0.000000 1.863191\n2.771654 7.170097 0.931596\n0.001963 -0.000000 9.171884\nSr P\n6 8\ndirect\n0.582065 0.996610 0.336158 Sr\n0.914833 0.003390 0.663842 Sr\n0.328674 0.503391 0.836158 Sr\n0.668223 0.496610 0.163842 Sr\n0.005493 0.500000 0.500000 Sr\n0.255494 0.000000 -0.000000 Sr\n0.422253 0.664282 0.498209 P\n0.584744 0.335719 0.501791 P\n0.836535 0.835719 0.998208 P\n0.670463 0.164282 0.001791 P\n0.338523 0.180821 0.655941 P\n0.175286 0.819179 0.344059 P\n0.744465 0.680821 0.844058 P\n0.269346 0.319179 0.155942 P\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sr",
"P"
],
"chemical_system": "P-Sr",
"density": 3.5236591312002647,
"density_atomic": 0.03840668654950906,
"volume": 364.51985989348407,
"volume_molar": 15.679927900671714,
"formula_full": "Sr6 P8",
"formula_reduced": "Sr3P4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.5105558471428568,
"spacegroup": 43
},
{
"id": "jvasp-11321",
"created_at": "2022-09-04T14:37:08.622703Z",
"updated_at": "2022-09-04T14:37:08.622729Z",
"structure_string": "Zn2 Sb2 F10\n1.0\n5.152903 0.191607 1.218077\n-1.392738 4.788259 0.695479\n0.057869 -1.292264 7.943801\nZn Sb F\n2 2 10\ndirect\n0.383976 0.556674 0.222189 Zn\n0.732943 0.574151 0.781469 Zn\n0.043074 0.082920 0.013871 Sb\n0.480314 0.073090 0.513767 Sb\n0.070883 0.840476 0.788995 F\n0.784009 -0.022596 0.344810 F\n0.605787 0.875664 0.686250 F\n0.817612 0.256634 0.901831 F\n0.350623 0.325761 0.841998 F\n0.785119 0.394133 0.557653 F\n0.635367 0.741073 0.026926 F\n0.320395 0.657863 0.454872 F\n0.059451 0.481541 0.135327 F\n0.416601 0.178632 0.232096 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Sb",
"F"
],
"chemical_system": "F-Sb-Zn",
"density": 4.579732090462092,
"density_atomic": 0.06842140769357001,
"volume": 204.61432279645524,
"volume_molar": 8.801544667088073,
"formula_full": "Zn2 Sb2 F10",
"formula_reduced": "ZnSbF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 1
},
{
"id": "jvasp-54880",
"created_at": "2022-09-04T14:37:15.780279Z",
"updated_at": "2022-09-04T14:37:15.780303Z",
"structure_string": "Sm6 Te8\n1.0\n7.707780 0.000000 -2.725112\n-3.853891 6.675134 -2.725112\n0.000000 -0.000000 8.175336\nSm Te\n6 8\ndirect\n0.125000 0.750000 0.875000 Sm\n0.625000 0.375000 0.250000 Sm\n0.375000 0.250000 0.625000 Sm\n0.750000 0.874999 0.125000 Sm\n0.250000 0.625000 0.375000 Sm\n0.875000 0.125000 0.750001 Sm\n0.646805 0.646804 0.646805 Te\n-0.000000 0.853195 0.500000 Te\n0.853195 0.500000 0.000000 Te\n-0.000000 0.353195 0.500000 Te\n0.500000 -0.000000 0.853196 Te\n0.500000 -0.000000 0.353195 Te\n0.353195 0.500000 0.000000 Te\n0.146805 0.146805 0.146805 Te\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sm",
"Te"
],
"chemical_system": "Sm-Te",
"density": 7.591444798994238,
"density_atomic": 0.03328381704973411,
"volume": 420.62483335612006,
"volume_molar": 18.093299668729273,
"formula_full": "Sm6 Te8",
"formula_reduced": "Sm3Te4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.1374896702380952,
"spacegroup": 220
},
{
"id": "jvasp-9955",
"created_at": "2022-09-04T14:37:17.655159Z",
"updated_at": "2022-09-04T14:37:17.655181Z",
"structure_string": "Zn2 Mo4 O8\n1.0\n2.799445 -0.000000 0.000000\n-1.399723 4.856604 -0.000000\n0.000000 -0.000000 10.521826\nZn Mo O\n2 4 8\ndirect\n0.420490 0.840978 0.750000 Zn\n0.579512 0.159021 0.250000 Zn\n0.842664 0.685324 0.061418 Mo\n0.157338 0.314676 0.938582 Mo\n0.842664 0.685324 0.438582 Mo\n0.157338 0.314676 0.561418 Mo\n0.199130 0.398260 0.369832 O\n0.800872 0.601739 0.630168 O\n0.800872 0.601739 0.869832 O\n0.199130 0.398260 0.130168 O\n0.928880 0.857755 0.250000 O\n0.071122 0.142244 0.750000 O\n0.500001 0.000000 0.000000 O\n0.500001 0.000000 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Mo",
"O"
],
"chemical_system": "Mo-O-Zn",
"density": 7.458920144116958,
"density_atomic": 0.09786610125880232,
"volume": 143.0525975789886,
"volume_molar": 6.153449133602177,
"formula_full": "Zn2 Mo4 O8",
"formula_reduced": "Zn(MoO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.0203494571428564,
"spacegroup": 63
}
]
}