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=spacegroup&page=1226",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1224",
"results": [
{
"id": "jvasp-110926",
"created_at": "2022-09-04T14:38:37.612070Z",
"updated_at": "2022-09-04T14:38:37.612094Z",
"structure_string": "Ba2 Bi2 Br2 O4\n1.0\n7.336809 0.035909 0.000000\n-4.887179 5.472251 0.000000\n-0.000000 -0.000000 5.834904\nBa Bi Br O\n2 2 2 4\ndirect\n0.613134 0.386866 0.250000 Ba\n0.386866 0.613134 0.750000 Ba\n0.925501 0.074499 0.250000 Bi\n0.074499 0.925501 0.750000 Bi\n0.253280 0.746720 0.250000 Br\n0.746720 0.253280 0.750000 Br\n0.226526 0.226526 -0.000000 O\n0.773474 0.773474 -0.000000 O\n0.773474 0.773474 0.500000 O\n0.226526 0.226526 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"Br",
"O"
],
"chemical_system": "Ba-Bi-Br-O",
"density": 6.467593425089872,
"density_atomic": 0.04250097225880347,
"volume": 235.28873502249454,
"volume_molar": 14.16941881547804,
"formula_full": "Ba2 Bi2 Br2 O4",
"formula_reduced": "BaBiBrO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.7261562750000001,
"spacegroup": 63
},
{
"id": "jvasp-110909",
"created_at": "2022-09-04T14:38:38.484850Z",
"updated_at": "2022-09-04T14:38:38.484869Z",
"structure_string": "Ho2 Al2 Si2\n1.0\n5.505620 -0.013160 0.000000\n-4.048849 3.730797 0.000000\n0.000000 -0.000000 5.689300\nHo Al Si\n2 2 2\ndirect\n0.693294 0.306706 0.250000 Ho\n0.306706 0.693295 0.750000 Ho\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.397899 0.602102 0.250000 Si\n0.602101 0.397899 0.750000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"Al",
"Si"
],
"chemical_system": "Al-Ho-Si",
"density": 6.268417602910399,
"density_atomic": 0.051476926905567245,
"volume": 116.5570744152386,
"volume_molar": 11.698718478372694,
"formula_full": "Ho2 Al2 Si2",
"formula_reduced": "HoAlSi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.6345489888888889,
"spacegroup": 63
},
{
"id": "jvasp-119414",
"created_at": "2022-09-04T14:38:32.789407Z",
"updated_at": "2022-09-04T14:38:32.789433Z",
"structure_string": "Ag12 S4 Br4\n1.0\n6.760810 0.119213 0.000000\n-0.004782 6.761859 0.000000\n0.000000 -0.000000 9.897123\nAg S Br\n12 4 4\ndirect\n0.550622 -0.000893 0.750000 Ag\n0.671411 0.328589 0.500000 Ag\n0.671411 0.328589 -0.000000 Ag\n0.328589 0.671411 -0.000000 Ag\n0.793469 0.793468 0.423061 Ag\n0.206532 0.206532 0.576938 Ag\n0.328589 0.671411 0.500000 Ag\n0.206532 0.206532 -0.076938 Ag\n-0.000893 0.550622 0.750000 Ag\n0.449378 0.000893 0.250000 Ag\n0.000893 0.449378 0.250000 Ag\n0.793469 0.793468 0.076938 Ag\n0.500000 -0.000000 -0.000000 S\n0.000000 0.500000 -0.000000 S\n0.500000 -0.000000 0.500000 S\n0.000000 0.500000 0.500000 S\n0.519012 0.519012 0.750000 Br\n-0.021374 -0.021374 0.750000 Br\n0.021374 0.021374 0.250000 Br\n0.480988 0.480988 0.250000 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ag",
"S",
"Br"
],
"chemical_system": "Ag-Br-S",
"density": 6.394276519483495,
"density_atomic": 0.04420290080941518,
"volume": 452.45899327358217,
"volume_molar": 13.623858728107026,
"formula_full": "Ag12 S4 Br4",
"formula_reduced": "Ag3SBr",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.1828611769999998,
"spacegroup": 63
},
{
"id": "jvasp-9917",
"created_at": "2022-09-04T14:38:32.920480Z",
"updated_at": "2022-09-04T14:38:32.920506Z",
"structure_string": "Ca2 Sb4 O8\n1.0\n3.332910 -0.000000 0.000000\n-1.666456 5.589285 -0.000000\n-0.000000 0.000000 11.150973\nCa Sb O\n2 4 8\ndirect\n0.383412 0.766826 0.750000 Ca\n0.616586 0.233174 0.250000 Ca\n0.868216 0.736435 0.078479 Sb\n0.131783 0.263565 0.921521 Sb\n0.868216 0.736435 0.421521 Sb\n0.131783 0.263565 0.578479 Sb\n0.228919 0.457840 0.376854 O\n0.771079 0.542160 0.623146 O\n0.771079 0.542160 0.876854 O\n0.228919 0.457840 0.123146 O\n0.965432 0.930868 0.250000 O\n0.034566 0.069131 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"O"
],
"chemical_system": "Ca-O-Sb",
"density": 5.557260534773063,
"density_atomic": 0.06739620304276901,
"volume": 207.72683575535743,
"volume_molar": 8.935430318201167,
"formula_full": "Ca2 Sb4 O8",
"formula_reduced": "Ca(SbO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.776452374285714,
"spacegroup": 63
},
{
"id": "jvasp-17407",
"created_at": "2022-09-04T14:38:32.922800Z",
"updated_at": "2022-09-04T14:38:32.922837Z",
"structure_string": "U2 Ge4\n1.0\n3.965933 0.000000 0.000000\n0.000000 3.995386 -1.090132\n-0.000000 0.019130 7.936818\nU Ge\n2 4\ndirect\n0.250000 0.898377 0.796752 U\n0.749999 0.101624 0.203249 U\n0.250000 0.559095 0.118190 Ge\n0.749999 0.440906 0.881811 Ge\n0.749999 0.748287 0.496573 Ge\n0.250000 0.251714 0.503427 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"U",
"Ge"
],
"chemical_system": "Ge-U",
"density": 10.11560712358614,
"density_atomic": 0.047677688988872924,
"volume": 125.84502578135209,
"volume_molar": 12.630940986685522,
"formula_full": "U2 Ge4",
"formula_reduced": "UGe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.1782392999999995,
"spacegroup": 63
},
{
"id": "jvasp-20978",
"created_at": "2022-09-04T14:38:33.049476Z",
"updated_at": "2022-09-04T14:38:33.049507Z",
"structure_string": "Ca2 Ir2 O6\n1.0\n3.207034 0.000000 -0.000000\n-1.603517 4.904710 -0.000000\n-0.000000 0.000000 7.334721\nCa Ir O\n2 2 6\ndirect\n0.248426 0.496853 0.009540 Ca\n0.751571 0.503147 0.509540 Ca\n-0.000000 -0.000000 0.759539 Ir\n0.000000 0.000000 0.259539 Ir\n0.373106 0.746214 0.709401 O\n0.626891 0.253786 0.209401 O\n0.373104 0.746209 0.309680 O\n0.626894 0.253790 0.809680 O\n0.922024 0.844052 0.009541 O\n0.077974 0.155947 0.509541 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Ir",
"O"
],
"chemical_system": "Ca-Ir-O",
"density": 8.068469431998972,
"density_atomic": 0.08667612816516157,
"volume": 115.3720200900642,
"volume_molar": 6.947865447479144,
"formula_full": "Ca2 Ir2 O6",
"formula_reduced": "CaIrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.048888404,
"spacegroup": 63
},
{
"id": "jvasp-22455",
"created_at": "2022-09-04T14:38:32.963635Z",
"updated_at": "2022-09-04T14:38:32.963655Z",
"structure_string": "Sc6 Co4 Si6\n1.0\n3.936285 0.000000 0.000000\n-1.968142 4.955323 0.000000\n0.000000 0.000000 12.866311\nSc Co Si\n6 4 6\ndirect\n0.143039 0.286078 0.750000 Sc\n0.420446 0.840892 0.612905 Sc\n0.420446 0.840892 0.887095 Sc\n0.579553 0.159108 0.112905 Sc\n0.856960 0.713922 0.250000 Sc\n0.579553 0.159108 0.387095 Sc\n0.714971 0.429942 0.584751 Co\n0.285028 0.570058 0.084751 Co\n0.714971 0.429942 0.915249 Co\n0.285028 0.570058 0.415249 Co\n0.162292 0.324582 0.250000 Si\n0.885524 0.771048 0.458965 Si\n0.885524 0.771048 0.041035 Si\n0.114476 0.228951 0.541035 Si\n0.837707 0.675417 0.750000 Si\n0.114476 0.228951 0.958965 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sc",
"Co",
"Si"
],
"chemical_system": "Co-Sc-Si",
"density": 4.459481486732389,
"density_atomic": 0.06375399946940305,
"volume": 250.96464744425566,
"volume_molar": 9.445902704331763,
"formula_full": "Sc6 Co4 Si6",
"formula_reduced": "Sc3Co2Si3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 3.36007791875,
"spacegroup": 63
},
{
"id": "jvasp-119032",
"created_at": "2022-09-04T14:38:32.969620Z",
"updated_at": "2022-09-04T14:38:32.969650Z",
"structure_string": "Nd4 Zn10 Sn2\n1.0\n8.580817 -0.018894 0.000000\n-7.414242 4.319698 0.000000\n0.000000 -0.000000 9.061992\nNd Zn Sn\n4 10 2\ndirect\n0.205020 0.794981 0.250000 Nd\n0.794982 0.205020 0.750000 Nd\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.814570 0.185432 0.391741 Zn\n0.185432 0.814570 0.608259 Zn\n0.814570 0.185432 0.108259 Zn\n0.185432 0.814570 0.891740 Zn\n0.656510 0.343492 0.483384 Zn\n0.343492 0.656510 0.516616 Zn\n0.656510 0.343492 0.016616 Zn\n0.343492 0.656510 0.983384 Zn\n0.394471 0.605531 0.250000 Zn\n0.605531 0.394471 0.750000 Zn\n0.554365 0.445637 0.250000 Sn\n0.445637 0.554365 0.750000 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Nd",
"Zn",
"Sn"
],
"chemical_system": "Nd-Sn-Zn",
"density": 7.287109077571047,
"density_atomic": 0.04781440006730449,
"volume": 334.6272248000202,
"volume_molar": 12.594826561711777,
"formula_full": "Nd4 Zn10 Sn2",
"formula_reduced": "Nd2Zn5Sn",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-57412",
"created_at": "2022-09-04T14:38:33.024442Z",
"updated_at": "2022-09-04T14:38:33.024468Z",
"structure_string": "Ni2 B8 O14\n1.0\n5.211394 0.000000 -0.000000\n0.000000 5.501047 -3.105435\n-0.000000 -0.016580 6.317037\nNi B O\n2 8 14\ndirect\n0.749999 0.737500 0.737500 Ni\n0.250000 0.262501 0.262500 Ni\n0.250000 0.934363 0.703141 B\n0.000000 0.700796 0.299204 B\n0.500000 0.700796 0.299204 B\n0.749999 0.296859 0.065638 B\n0.000000 0.299204 0.700796 B\n0.250000 0.703141 0.934362 B\n0.749999 0.065638 0.296859 B\n0.500000 0.299204 0.700796 B\n0.976536 0.438677 0.186862 O\n0.523463 0.186862 0.438677 O\n0.749999 0.799106 0.245430 O\n0.749999 0.245431 0.799106 O\n0.023464 0.561323 0.813138 O\n0.250000 0.936977 0.936976 O\n0.023464 0.813139 0.561323 O\n0.749999 0.063024 0.063024 O\n0.476536 0.561323 0.813138 O\n0.250000 0.754570 0.200894 O\n0.523463 0.438677 0.186862 O\n0.250000 0.200894 0.754570 O\n0.976536 0.186862 0.438677 O\n0.476536 0.813139 0.561323 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ni",
"B",
"O"
],
"chemical_system": "B-Ni-O",
"density": 3.929058988838949,
"density_atomic": 0.13272187557597387,
"volume": 180.82927095361686,
"volume_molar": 4.537413846711917,
"formula_full": "Ni2 B8 O14",
"formula_reduced": "NiB4O7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 3.456314769444445,
"spacegroup": 63
},
{
"id": "jvasp-21563",
"created_at": "2022-09-04T14:38:33.067105Z",
"updated_at": "2022-09-04T14:38:33.067140Z",
"structure_string": "Pr6 Ir2 O14\n1.0\n6.701966 -0.020303 -0.000000\n-2.503010 6.217048 -0.000000\n-0.000000 0.000000 7.609635\nPr Ir O\n6 2 14\ndirect\n0.531698 0.089395 0.250000 Pr\n0.468303 0.910606 0.750000 Pr\n0.089395 0.531698 0.250000 Pr\n0.910606 0.468303 0.750000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.500001 0.500000 0.500000 Ir\n0.500001 0.500000 0.000000 Ir\n0.440437 0.188953 0.541602 O\n0.559564 0.811048 0.041602 O\n0.811048 0.559564 0.041602 O\n0.589756 0.589756 0.750000 O\n0.440437 0.188953 0.958397 O\n0.811048 0.559564 0.458398 O\n0.188953 0.440436 0.958397 O\n0.159623 0.897350 0.250000 O\n0.840378 0.102651 0.750000 O\n0.897350 0.159623 0.250000 O\n0.102651 0.840378 0.750000 O\n0.410245 0.410244 0.250000 O\n0.559564 0.811048 0.458398 O\n0.188953 0.440436 0.541602 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Pr",
"Ir",
"O"
],
"chemical_system": "Ir-O-Pr",
"density": 7.623508095280404,
"density_atomic": 0.06947082013191386,
"volume": 316.6797219066301,
"volume_molar": 8.668590277997192,
"formula_full": "Pr6 Ir2 O14",
"formula_reduced": "Pr3IrO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.6733477409090907,
"spacegroup": 63
},
{
"id": "jvasp-58574",
"created_at": "2022-09-04T14:38:33.122625Z",
"updated_at": "2022-09-04T14:38:33.122660Z",
"structure_string": "Ca2 Ti4 O8\n1.0\n3.067832 0.000000 0.000000\n-1.533916 4.897884 -0.000000\n0.000000 0.000000 10.117053\nCa Ti O\n2 4 8\ndirect\n0.379701 0.759404 0.750000 Ca\n0.620296 0.240595 0.250000 Ca\n0.875615 0.751233 0.064999 Ti\n0.124382 0.248766 0.935001 Ti\n0.875615 0.751233 0.435001 Ti\n0.124382 0.248766 0.564999 Ti\n0.232514 0.465029 0.392850 O\n0.767484 0.534970 0.607150 O\n0.767484 0.534970 0.892850 O\n0.232514 0.465029 0.107150 O\n0.939087 0.878179 0.250000 O\n0.060910 0.121820 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"O"
],
"chemical_system": "Ca-O-Ti",
"density": 4.365171891447339,
"density_atomic": 0.09209455254744037,
"volume": 152.0176776230953,
"volume_molar": 6.5390846618184435,
"formula_full": "Ca2 Ti4 O8",
"formula_reduced": "CaTi2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.2875030123809523,
"spacegroup": 63
},
{
"id": "jvasp-58572",
"created_at": "2022-09-04T14:38:33.224975Z",
"updated_at": "2022-09-04T14:38:33.224993Z",
"structure_string": "Ca2 Ag4 O8\n1.0\n3.304738 0.000000 0.000000\n-1.652369 5.319911 0.000000\n0.000000 -0.000000 9.919954\nCa Ag O\n2 4 8\ndirect\n0.391021 0.782042 0.750000 Ca\n0.608979 0.217958 0.250000 Ca\n0.867430 0.734862 0.070232 Ag\n0.132570 0.265138 0.929767 Ag\n0.867430 0.734862 0.429768 Ag\n0.132570 0.265138 0.570232 Ag\n0.219695 0.439391 0.387220 O\n0.780305 0.560609 0.612780 O\n0.780305 0.560609 0.887220 O\n0.219695 0.439391 0.112780 O\n0.957134 0.914268 0.250000 O\n0.042866 0.085732 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"O"
],
"chemical_system": "Ag-Ca-O",
"density": 6.0900770763843965,
"density_atomic": 0.08027438302545625,
"volume": 174.40183869816082,
"volume_molar": 7.501945867450997,
"formula_full": "Ca2 Ag4 O8",
"formula_reduced": "Ca(AgO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2660941342857142,
"spacegroup": 63
}
]
}