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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4161",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4159",
"results": [
{
"id": "jvasp-30062",
"created_at": "2022-09-04T14:38:06.585072Z",
"updated_at": "2022-09-04T14:38:06.585084Z",
"structure_string": "Nb2 Si1 Te4\n1.0\n2.975830 -0.479911 -2.170515\n-2.308536 7.952880 -1.744831\n0.825029 -0.605866 7.621678\nNb Si Te\n2 1 4\ndirect\n0.802128 0.366034 0.186389 Nb\n0.912173 0.333064 0.813051 Nb\n0.357137 0.849515 -0.000307 Si\n0.217070 0.060479 0.754262 Te\n0.497254 0.638636 0.245192 Te\n0.409987 0.555151 0.699769 Te\n0.304247 0.143921 0.299642 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Nb",
"Si",
"Te"
],
"chemical_system": "Nb-Si-Te",
"density": 6.656494322985907,
"density_atomic": 0.03874155662959968,
"volume": 180.68453126253053,
"volume_molar": 15.54439543453685,
"formula_full": "Nb2 Si1 Te4",
"formula_reduced": "Nb2SiTe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.863964066666667,
"spacegroup": 12
},
{
"id": "jvasp-77411",
"created_at": "2022-09-04T14:38:06.700806Z",
"updated_at": "2022-09-04T14:38:06.700827Z",
"structure_string": "Hf1 Mg1 Hg2\n1.0\n-11.225415 2.499006 -2.400135\n-8.086163 1.601601 1.152019\n-7.160912 4.218607 -0.450563\nHf Mg Hg\n1 1 2\ndirect\n0.500000 -0.000001 0.000001 Hf\n0.000000 0.000000 0.000000 Mg\n0.743800 0.004083 0.004086 Hg\n0.256201 -0.004085 -0.004084 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Hg"
],
"chemical_system": "Hf-Hg-Mg",
"density": 11.490606963205707,
"density_atomic": 0.04582842175532051,
"volume": 87.2820805690437,
"volume_molar": 13.14062437531105,
"formula_full": "Hf1 Mg1 Hg2",
"formula_reduced": "HfMgHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3365228125,
"spacegroup": 12
},
{
"id": "jvasp-11703",
"created_at": "2022-09-04T14:38:06.746233Z",
"updated_at": "2022-09-04T14:38:06.746261Z",
"structure_string": "Ca2 Mn3 O8\n1.0\n4.746104 0.001988 -1.478684\n-0.860045 5.111562 -2.753599\n-0.001253 -0.000852 6.254269\nCa Mn O\n2 3 8\ndirect\n0.666545 0.724982 0.449963 Ca\n0.333455 0.275019 0.550038 Ca\n0.500001 0.999999 0.000000 Mn\n0.999999 0.740782 0.000001 Mn\n0.999998 0.259219 0.000001 Mn\n0.041439 0.396623 0.793248 O\n0.958562 0.603376 0.206753 O\n0.097648 0.903047 0.806093 O\n0.902353 0.096953 0.193907 O\n0.391857 0.323328 0.201277 O\n0.391858 0.877949 0.201277 O\n0.608144 0.122051 0.798724 O\n0.608145 0.676673 0.798724 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O",
"density": 4.082080641596522,
"density_atomic": 0.08568550611712716,
"volume": 151.71760766902335,
"volume_molar": 7.0281906857947245,
"formula_full": "Ca2 Mn3 O8",
"formula_reduced": "Ca2Mn3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.7572623510875327,
"spacegroup": 12
},
{
"id": "jvasp-30114",
"created_at": "2022-09-04T14:38:06.808327Z",
"updated_at": "2022-09-04T14:38:06.808352Z",
"structure_string": "Mn2 O4\n1.0\n1.436905 -2.347495 -0.000295\n3.212081 0.353375 4.063225\n-3.903873 -2.390033 0.938843\nMn O\n2 4\ndirect\n-0.004909 0.008680 0.971207 Mn\n0.499962 -0.001219 0.528313 Mn\n0.125305 0.747936 0.553115 O\n0.596574 0.805515 0.076102 O\n0.369743 0.259525 0.946415 O\n0.898469 0.201937 0.423430 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.914568653364508,
"density_atomic": 0.10213008379406638,
"volume": 58.74860547552583,
"volume_molar": 5.896539527122054,
"formula_full": "Mn2 O4",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.1904714137931043,
"spacegroup": 12
},
{
"id": "jvasp-29349",
"created_at": "2022-09-04T14:38:06.839712Z",
"updated_at": "2022-09-04T14:38:06.839732Z",
"structure_string": "Sc5 Cl8\n1.0\n3.499806 -0.000028 0.664343\n1.655855 9.137158 0.827171\n0.002157 -0.620689 9.538298\nSc Cl\n5 8\ndirect\n0.000000 0.000000 0.000000 Sc\n0.515773 0.318926 0.649526 Sc\n0.484228 0.681074 0.350474 Sc\n0.123358 0.385450 0.367811 Sc\n0.876643 0.614550 0.632189 Sc\n0.698323 0.182156 0.421188 Cl\n0.301677 0.817844 0.578812 Cl\n0.364910 0.162568 0.107616 Cl\n0.635091 0.837432 0.892384 Cl\n0.673217 0.472845 0.180722 Cl\n0.326784 0.527155 0.819278 Cl\n0.966828 0.841516 0.224838 Cl\n0.033173 0.158484 0.775162 Cl\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Sc",
"Cl"
],
"chemical_system": "Cl-Sc",
"density": 2.7578223528561865,
"density_atomic": 0.04246703687013487,
"volume": 306.1197803782328,
"volume_molar": 14.180741591215416,
"formula_full": "Sc5 Cl8",
"formula_reduced": "Sc5Cl8",
"formula_anonymous": "A5B8",
"energy_above_hull": 1.1617752915384618,
"spacegroup": 12
},
{
"id": "jvasp-38891",
"created_at": "2022-09-04T14:38:06.887494Z",
"updated_at": "2022-09-04T14:38:06.887527Z",
"structure_string": "Zr2 Zn1 Ag2 F14\n1.0\n4.522014 -3.347745 -0.026256\n4.522014 3.347745 -0.026256\n-0.122948 0.000000 9.240188\nZr Zn Ag F\n2 1 2 14\ndirect\n0.107728 0.107728 0.205440 Zr\n0.892271 0.892271 0.794559 Zr\n0.500001 0.500001 0.000001 Zn\n0.690460 0.690460 0.388464 Ag\n0.309539 0.309539 0.611534 Ag\n0.688079 0.688079 0.878036 F\n0.101253 0.101253 0.716601 F\n0.001811 0.641925 0.618018 F\n0.641925 0.001811 0.618018 F\n0.499999 0.499999 0.499999 F\n0.358075 0.998189 0.381980 F\n0.898747 0.898747 0.283400 F\n0.612386 0.206542 0.859539 F\n0.311919 0.311919 0.121963 F\n0.387612 0.793457 0.140459 F\n0.793457 0.387612 0.140459 F\n0.000000 0.000000 0.000000 F\n0.998189 0.358075 0.381980 F\n0.206542 0.612386 0.859539 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Zr",
"Zn",
"Ag",
"F"
],
"chemical_system": "Ag-F-Zn-Zr",
"density": 4.3306707300161325,
"density_atomic": 0.06791912445114812,
"volume": 279.7444777673193,
"volume_molar": 8.866634852355197,
"formula_full": "Zr2 Zn1 Ag2 F14",
"formula_reduced": "Zr2ZnAg2F14",
"formula_anonymous": "AB2C2D14",
"energy_above_hull": 0.1461204144736848,
"spacegroup": 12
},
{
"id": "jvasp-29447",
"created_at": "2022-09-04T14:38:06.893754Z",
"updated_at": "2022-09-04T14:38:06.893773Z",
"structure_string": "Mn2 Bi2 S4 Br2\n1.0\n3.702489 -0.000000 -0.000000\n-1.851244 6.245937 -0.148444\n-0.000000 -0.090466 8.921943\nMn Bi S Br\n2 2 4 2\ndirect\n0.500000 0.000000 0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.216682 0.433364 0.786236 Bi\n0.783319 0.566636 0.213765 Bi\n0.119291 0.238581 0.046548 S\n0.556476 0.112952 0.749867 S\n0.880710 0.761419 0.953452 S\n0.443525 0.887048 0.250133 S\n0.127775 0.255550 0.450838 Br\n0.872226 0.744450 0.549162 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Mn",
"Bi",
"S",
"Br"
],
"chemical_system": "Bi-Br-Mn-S",
"density": 6.568141254729863,
"density_atomic": 0.04847902208456596,
"volume": 206.27478793933125,
"volume_molar": 12.422158082098033,
"formula_full": "Mn2 Bi2 S4 Br2",
"formula_reduced": "MnBiS2Br",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.818485129275862,
"spacegroup": 12
},
{
"id": "jvasp-38011",
"created_at": "2022-09-04T14:38:07.033158Z",
"updated_at": "2022-09-04T14:38:07.033185Z",
"structure_string": "Na3 Mn2 Sb1 O6\n1.0\n-5.538479 0.000000 0.008885\n-2.769240 -4.780776 0.004443\n-1.863066 0.000000 5.393879\nNa Mn Sb O\n3 2 1 6\ndirect\n0.500000 0.000000 0.500001 Na\n0.172551 0.654898 0.500000 Na\n0.827450 0.345103 0.500001 Na\n0.333777 0.332447 0.000000 Mn\n0.666223 0.667554 0.000000 Mn\n0.000000 0.000000 0.000000 Sb\n0.069322 0.309754 0.789632 O\n0.238987 0.000000 0.206810 O\n0.761014 0.000000 0.793191 O\n0.379075 0.690247 0.789632 O\n0.620925 0.309754 0.210369 O\n0.930679 0.690247 0.210369 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Na",
"Mn",
"Sb",
"O"
],
"chemical_system": "Mn-Na-O-Sb",
"density": 4.6137534165492005,
"density_atomic": 0.08406821956122675,
"volume": 142.7412173426656,
"volume_molar": 7.163397525760711,
"formula_full": "Na3 Mn2 Sb1 O6",
"formula_reduced": "Na3Mn2SbO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.138713215229885,
"spacegroup": 12
},
{
"id": "jvasp-30735",
"created_at": "2022-09-04T14:38:07.462415Z",
"updated_at": "2022-09-04T14:38:07.462434Z",
"structure_string": "Zn2 Sb4 O8\n1.0\n3.247586 0.000338 0.666480\n1.347696 10.024553 1.672961\n0.351042 0.994027 6.535292\nZn Sb O\n2 4 8\ndirect\n0.251629 0.238899 0.266268 Zn\n0.750695 0.739219 0.766791 Zn\n0.616705 0.078079 0.696987 Sb\n0.116205 0.577686 0.197281 Sb\n0.886096 0.400433 0.835782 Sb\n0.385657 0.900033 0.336070 Sb\n0.902494 0.765436 0.437168 O\n0.402965 0.265683 0.936610 O\n0.599336 0.712436 0.096450 O\n0.099868 0.212680 0.595902 O\n0.229059 0.890196 0.659336 O\n0.729380 0.390240 0.159147 O\n0.773344 0.087916 0.373726 O\n0.272893 0.587869 0.873918 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Sb",
"O"
],
"chemical_system": "O-Sb-Zn",
"density": 6.015016392508226,
"density_atomic": 0.06799271701545816,
"volume": 205.9044058618381,
"volume_molar": 8.857037965743986,
"formula_full": "Zn2 Sb4 O8",
"formula_reduced": "Zn(SbO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6382909428571426,
"spacegroup": 12
},
{
"id": "jvasp-42224",
"created_at": "2022-09-04T14:38:07.843788Z",
"updated_at": "2022-09-04T14:38:07.843808Z",
"structure_string": "Mn8 O12 F4\n1.0\n-4.508995 0.102882 0.000000\n-0.204079 9.089728 -2.946204\n0.000000 0.000000 -5.892410\nMn O F\n8 12 4\ndirect\n0.472556 0.235799 0.632100 Mn\n0.527443 0.264200 0.117900 Mn\n0.500000 0.750000 0.374999 Mn\n0.500000 0.750000 0.874999 Mn\n0.001087 -0.000350 0.494279 Mn\n0.998912 0.500350 0.743929 Mn\n0.001087 -0.000350 0.006071 Mn\n0.998912 0.500350 0.255720 Mn\n0.192656 0.089642 0.705180 O\n0.192821 0.594109 0.452946 O\n0.300684 0.345013 0.328154 O\n0.304941 0.845014 0.078397 O\n0.304941 0.845014 0.576587 O\n0.300684 0.345013 0.826833 O\n0.699315 0.154987 0.421846 O\n0.695059 0.654986 0.671601 O\n0.699315 0.154987 0.923167 O\n0.807179 0.905891 0.297053 O\n0.807343 0.410358 0.044820 O\n0.695059 0.654986 0.173411 O\n0.211289 0.603103 0.948447 F\n0.775792 0.391860 0.554069 F\n0.788711 0.896897 0.801552 F\n0.224207 0.108140 0.195931 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.867083706754284,
"density_atomic": 0.09942833792810431,
"volume": 241.37987720718186,
"volume_molar": 6.056764988221519,
"formula_full": "Mn8 O12 F4",
"formula_reduced": "Mn2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.5534592108764365,
"spacegroup": 12
},
{
"id": "jvasp-11671",
"created_at": "2022-09-04T14:38:07.512959Z",
"updated_at": "2022-09-04T14:38:07.512982Z",
"structure_string": "V2 Zn2 O7\n1.0\n4.953699 0.103614 -0.923485\n-1.258907 5.134564 -1.164272\n0.076520 -0.099624 5.411870\nV Zn O\n2 2 7\ndirect\n0.902035 0.233768 0.233770 V\n0.097965 0.766230 0.766231 V\n0.500000 0.314296 0.685703 Zn\n0.500000 0.685704 0.314297 Zn\n0.224523 0.423050 0.423051 O\n0.775474 0.576949 0.576949 O\n0.289493 0.946495 0.610654 O\n0.710506 0.389345 0.053506 O\n0.000000 0.000000 0.000000 O\n0.710507 0.053506 0.389347 O\n0.289493 0.610653 0.946495 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"V",
"Zn",
"O"
],
"chemical_system": "O-V-Zn",
"density": 4.147083150171323,
"density_atomic": 0.07969830393152813,
"volume": 138.02050303919293,
"volume_molar": 7.5561717915275235,
"formula_full": "V2 Zn2 O7",
"formula_reduced": "V2Zn2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.2717712454545453,
"spacegroup": 12
},
{
"id": "jvasp-44993",
"created_at": "2022-09-04T14:38:07.563870Z",
"updated_at": "2022-09-04T14:38:07.563897Z",
"structure_string": "Li2 Hf1 O3\n1.0\n-7.688784 -2.088574 0.098676\n7.688686 -2.088794 -0.101846\n-2.488380 4.175892 2.004329\nLi Hf O\n2 1 3\ndirect\n0.952693 0.268230 0.609006 Li\n0.050223 0.734688 0.390996 Li\n0.501445 0.501445 0.500001 Hf\n0.604468 0.319350 0.460473 O\n0.001456 0.001455 0.499997 O\n0.398416 0.683535 0.539527 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Hf",
"O"
],
"chemical_system": "Hf-Li-O",
"density": 6.3123380948379735,
"density_atomic": 0.09488810645819139,
"volume": 63.23237151585123,
"volume_molar": 6.346570697617846,
"formula_full": "Li2 Hf1 O3",
"formula_reduced": "Li2HfO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.1011439166666674,
"spacegroup": 12
}
]
}