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=-updated_at&page=1079",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=1077",
"results": [
{
"id": "jvasp-12393",
"created_at": "2022-09-04T14:38:13.408847Z",
"updated_at": "2022-09-04T14:38:13.408865Z",
"structure_string": "U4 O12\n1.0\n5.205781 0.000000 0.000000\n0.000000 5.518071 0.000000\n0.000000 0.000000 7.425292\nU O\n4 12\ndirect\n0.284276 0.375275 0.192231 U\n0.784276 0.124725 0.807769 U\n0.715724 0.875274 0.307769 U\n0.215724 0.624725 0.692231 U\n0.915527 0.865061 0.571178 O\n0.415527 0.634939 0.428822 O\n0.084473 0.365061 0.928822 O\n0.584473 0.134939 0.071178 O\n0.926821 0.597934 0.253004 O\n0.426821 0.902066 0.746995 O\n0.073179 0.097934 0.246995 O\n0.573179 0.402066 0.753004 O\n0.037561 0.354596 0.591397 O\n0.537561 0.145404 0.408603 O\n0.962439 0.854596 0.908603 O\n0.462439 0.645404 0.091397 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 8.906961430331396,
"density_atomic": 0.07501243570357101,
"volume": 213.29796652954585,
"volume_molar": 8.028189864141837,
"formula_full": "U4 O12",
"formula_reduced": "UO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.4908716250000005,
"spacegroup": 19
},
{
"id": "jvasp-49981",
"created_at": "2022-09-04T14:38:13.406662Z",
"updated_at": "2022-09-04T14:38:13.406684Z",
"structure_string": "Ag8 Se4\n1.0\n4.921210 0.000000 0.000000\n0.000000 7.174662 0.000000\n0.000000 0.000000 7.001162\nAg Se\n8 4\ndirect\n0.499971 0.857129 0.430388 Ag\n0.000020 0.329257 0.297753 Ag\n-0.000020 0.829257 0.202247 Ag\n0.500029 0.357129 0.069612 Ag\n-0.000029 0.642870 0.569612 Ag\n0.500020 0.170743 0.702247 Ag\n0.499980 0.670743 0.797753 Ag\n0.000029 0.142870 0.930388 Ag\n0.000008 0.537217 -0.033353 Se\n-0.000008 0.037217 0.533353 Se\n0.500008 0.962782 0.033353 Se\n0.499992 0.462782 0.466647 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ag",
"Se"
],
"chemical_system": "Ag-Se",
"density": 7.9184549166787095,
"density_atomic": 0.048544247700106825,
"volume": 247.19715658449874,
"volume_molar": 12.405467270196771,
"formula_full": "Ag8 Se4",
"formula_reduced": "Ag2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2335659622222223,
"spacegroup": 62
},
{
"id": "jvasp-76923",
"created_at": "2022-09-04T14:38:13.404476Z",
"updated_at": "2022-09-04T14:38:13.404493Z",
"structure_string": "Na2 Hg1 Te1\n1.0\n-12.555226 3.129066 -2.141384\n-9.163618 0.710464 1.233882\n-7.614156 5.091570 -1.448803\nNa Hg Te\n2 1 1\ndirect\n0.750378 0.999767 0.999766 Na\n0.249620 0.000236 0.000235 Na\n0.500001 1.000001 0.999999 Hg\n0.999997 0.000002 0.000002 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Hg",
"Te"
],
"chemical_system": "Hg-Na-Te",
"density": 5.690426517654154,
"density_atomic": 0.036634248332962346,
"volume": 109.18744568319491,
"volume_molar": 16.43855417822635,
"formula_full": "Na2 Hg1 Te1",
"formula_reduced": "Na2HgTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-52543",
"created_at": "2022-09-04T14:38:13.403645Z",
"updated_at": "2022-09-04T14:38:13.403676Z",
"structure_string": "Ti2 Bi4 O10\n1.0\n0.000000 5.630243 0.000000\n-7.910049 2.815121 -0.000872\n-0.000652 0.000000 5.527545\nTi Bi O\n2 4 10\ndirect\n0.314167 0.996631 0.736213 Ti\n0.689201 0.996631 0.236213 Ti\n0.956745 0.657375 0.756199 Bi\n0.385880 0.657376 0.256199 Bi\n0.617496 0.335885 0.756200 Bi\n0.046619 0.335885 0.256200 Bi\n0.254165 0.805489 0.658882 O\n0.940344 0.805489 0.158882 O\n0.242995 0.491559 0.485196 O\n0.265446 0.491559 0.985195 O\n0.760374 0.501699 0.985198 O\n0.737927 0.501699 0.485199 O\n0.063022 0.187770 0.658882 O\n0.749208 0.187770 0.158883 O\n0.599350 0.996633 0.563417 O\n0.404017 0.996633 0.063417 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"Bi",
"O"
],
"chemical_system": "Bi-O-Ti",
"density": 7.363660407773832,
"density_atomic": 0.06499521384851359,
"volume": 246.17197255926735,
"volume_molar": 9.265514186992284,
"formula_full": "Ti2 Bi4 O10",
"formula_reduced": "TiBi2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.3123680541666665,
"spacegroup": 36
},
{
"id": "jvasp-5779",
"created_at": "2022-09-04T14:38:13.402870Z",
"updated_at": "2022-09-04T14:38:13.402887Z",
"structure_string": "Hf2 Br2 N2\n1.0\n3.562306 0.003296 9.378692\n1.723863 3.117423 9.378692\n0.005583 0.003296 10.032440\nHf Br N\n2 2 2\ndirect\n0.789322 0.789325 0.789323 Hf\n0.210677 0.210677 0.210677 Hf\n0.388742 0.388743 0.388743 Br\n0.611256 0.611258 0.611257 Br\n0.862680 0.862683 0.862681 N\n0.137318 0.137319 0.137318 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Br",
"N"
],
"chemical_system": "Br-Hf-N",
"density": 8.140188783249974,
"density_atomic": 0.053988146156722656,
"volume": 111.135507090437,
"volume_molar": 11.154561118876494,
"formula_full": "Hf2 Br2 N2",
"formula_reduced": "HfBrN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.510883451666666,
"spacegroup": 166
},
{
"id": "jvasp-25049",
"created_at": "2022-09-04T14:38:13.398210Z",
"updated_at": "2022-09-04T14:38:13.398237Z",
"structure_string": "Se6\n1.0\n5.990791 0.068581 -2.805652\n-4.431327 4.032072 -2.805654\n0.026079 0.068582 6.615178\nSe\n6\ndirect\n0.292592 0.162600 0.913857 Se\n0.913857 0.292592 0.162601 Se\n0.162600 0.913857 0.292592 Se\n0.707407 0.837399 0.086143 Se\n0.086142 0.707407 0.837399 Se\n0.837399 0.086142 0.707408 Se\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 4.794085724583848,
"density_atomic": 0.036563651290435165,
"volume": 164.0973969568943,
"volume_molar": 16.47029371373355,
"formula_full": "Se6",
"formula_reduced": "Se",
"formula_anonymous": "A",
"energy_above_hull": 0.0440833666666666,
"spacegroup": 148
},
{
"id": "jvasp-55817",
"created_at": "2022-09-04T14:38:13.392794Z",
"updated_at": "2022-09-04T14:38:13.392825Z",
"structure_string": "V4 Cd4 O12\n1.0\n5.307203 -0.000000 0.000000\n-0.000000 5.379474 0.000000\n0.000000 0.000000 7.583733\nV Cd O\n4 4 12\ndirect\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.007989 0.964704 0.750000 Cd\n0.507989 0.535295 0.250000 Cd\n0.492010 0.464704 0.750000 Cd\n0.992010 0.035296 0.250000 Cd\n0.586952 0.021598 0.750000 O\n0.086952 0.478401 0.250000 O\n0.704893 0.291148 0.044510 O\n0.204893 0.208852 0.955489 O\n0.795106 0.791148 0.455490 O\n0.204893 0.208852 0.544510 O\n0.295107 0.708851 0.955489 O\n0.795106 0.791148 0.044510 O\n0.913047 0.521598 0.750000 O\n0.704893 0.291148 0.455490 O\n0.295107 0.708851 0.544510 O\n0.413047 0.978401 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"Cd",
"O"
],
"chemical_system": "Cd-O-V",
"density": 6.483719714856398,
"density_atomic": 0.09237223435916161,
"volume": 216.51527798100048,
"volume_molar": 6.519427403460568,
"formula_full": "V4 Cd4 O12",
"formula_reduced": "VCdO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6649888899999998,
"spacegroup": 62
},
{
"id": "jvasp-17204",
"created_at": "2022-09-04T14:38:13.391895Z",
"updated_at": "2022-09-04T14:38:13.391920Z",
"structure_string": "Ce1 Mg1 Zn2\n1.0\n4.240285 0.000000 2.448129\n1.413428 3.997779 2.448129\n0.000000 0.000000 4.896259\nCe Mg Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Zn\n0.749999 0.750000 0.750001 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Zn"
],
"chemical_system": "Ce-Mg-Zn",
"density": 5.906695874408157,
"density_atomic": 0.048192757724406,
"volume": 83.00002300914814,
"volume_molar": 12.495945541108222,
"formula_full": "Ce1 Mg1 Zn2",
"formula_reduced": "CeMgZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109716",
"created_at": "2022-09-04T14:38:13.391222Z",
"updated_at": "2022-09-04T14:38:13.391256Z",
"structure_string": "Mn4 Ga1\n1.0\n2.551373 -0.000000 0.000000\n-1.275687 2.186759 0.316563\n-0.000000 0.007715 10.228230\nMn Ga\n4 1\ndirect\n0.595672 0.191346 0.212981 Mn\n0.200699 0.401399 0.397902 Mn\n0.799300 0.598603 0.602098 Mn\n0.404326 0.808656 0.787019 Mn\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mn",
"Ga"
],
"chemical_system": "Ga-Mn",
"density": 8.424274145580972,
"density_atomic": 0.08762783172472559,
"volume": 57.05949698386946,
"volume_molar": 6.8724064506331475,
"formula_full": "Mn4 Ga1",
"formula_reduced": "Mn4Ga",
"formula_anonymous": "AB4",
"energy_above_hull": 3.537078258103448,
"spacegroup": 166
},
{
"id": "jvasp-16388",
"created_at": "2022-09-04T14:38:13.390450Z",
"updated_at": "2022-09-04T14:38:13.390481Z",
"structure_string": "Y2 Cu2 As4\n1.0\n3.920676 0.000000 -0.000000\n-0.000000 3.920676 -0.000000\n-0.000000 -0.000000 9.886930\nY Cu As\n2 2 4\ndirect\n0.500001 0.000000 0.763809 Y\n0.000000 0.500001 0.236191 Y\n0.000000 0.000000 0.500000 Cu\n0.500001 0.500001 0.500000 Cu\n0.500001 0.500001 0.000000 As\n0.000000 0.000000 0.000000 As\n0.500001 0.000000 0.338446 As\n0.000000 0.500001 0.661554 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Y",
"Cu",
"As"
],
"chemical_system": "As-Cu-Y",
"density": 6.605820389486705,
"density_atomic": 0.05263887746030176,
"volume": 151.9789248171809,
"volume_molar": 11.44048097253151,
"formula_full": "Y2 Cu2 As4",
"formula_reduced": "YCuAs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.56705985,
"spacegroup": 129
},
{
"id": "jvasp-53199",
"created_at": "2022-09-04T14:38:13.383842Z",
"updated_at": "2022-09-04T14:38:13.383874Z",
"structure_string": "Y4 Si1 S3\n1.0\n-5.610244 0.000058 -0.000679\n-0.000063 -5.610278 -0.002886\n2.804470 2.802281 5.627119\nY Si S\n4 1 3\ndirect\n0.748932 0.749074 0.500444 Y\n0.245762 0.245915 0.494086 Y\n0.997350 0.497539 0.997270 Y\n0.497336 0.997516 0.997269 Y\n0.997328 0.997531 0.997251 Si\n0.497356 0.497520 0.997255 S\n0.247340 0.747495 0.497267 S\n0.747342 0.247496 0.497268 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Y",
"Si",
"S"
],
"chemical_system": "S-Si-Y",
"density": 4.500788650211116,
"density_atomic": 0.04518301733650997,
"volume": 177.05767502020342,
"volume_molar": 13.328328020125012,
"formula_full": "Y4 Si1 S3",
"formula_reduced": "Y4SiS3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.73902755,
"spacegroup": 139
},
{
"id": "jvasp-38027",
"created_at": "2022-09-04T14:38:13.383588Z",
"updated_at": "2022-09-04T14:38:13.383610Z",
"structure_string": "Sb2 Br2 O2\n1.0\n3.837941 -0.000000 -0.000000\n0.000000 3.837941 -0.000000\n0.000000 0.000000 8.284620\nSb Br O\n2 2 2\ndirect\n0.500000 0.000000 0.852192 Sb\n0.000000 0.500000 0.147808 Sb\n0.000000 0.500000 0.662973 Br\n0.500000 0.000000 0.337027 Br\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sb",
"Br",
"O"
],
"chemical_system": "Br-O-Sb",
"density": 5.923730890654484,
"density_atomic": 0.049167946370693674,
"volume": 122.03072210427467,
"volume_molar": 12.248103092606426,
"formula_full": "Sb2 Br2 O2",
"formula_reduced": "SbBrO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7889745683333335,
"spacegroup": 129
}
]
}