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=formula_anonymous&page=848",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=846",
"results": [
{
"id": "jvasp-19118",
"created_at": "2022-09-04T14:36:56.012679Z",
"updated_at": "2022-09-04T14:36:56.012694Z",
"structure_string": "Se8 O16\n1.0\n8.350378 0.000000 0.000000\n-0.000000 8.350378 -0.000000\n-0.000000 0.000000 5.146915\nSe O\n8 16\ndirect\n0.367991 0.290126 0.500000 Se\n0.632009 0.709875 0.500000 Se\n0.709875 0.367991 0.000000 Se\n0.290126 0.632009 0.000000 Se\n0.790126 0.867991 0.000000 Se\n0.867991 0.209875 0.500000 Se\n0.132009 0.790126 0.500000 Se\n0.209875 0.132009 0.000000 Se\n0.866822 0.366822 0.250000 O\n0.633178 0.866822 0.749999 O\n0.633178 0.866822 0.250000 O\n0.866822 0.366822 0.749999 O\n0.133178 0.633178 0.749999 O\n0.366822 0.133178 0.250000 O\n0.173296 0.937298 0.000000 O\n0.326704 0.437298 0.000000 O\n0.062702 0.173296 0.500000 O\n0.826704 0.062702 0.000000 O\n0.133178 0.633178 0.250000 O\n0.673296 0.562702 0.000000 O\n0.437298 0.673296 0.500000 O\n0.562702 0.326704 0.500000 O\n0.937298 0.826704 0.500000 O\n0.366822 0.133178 0.749999 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Se",
"O"
],
"chemical_system": "O-Se",
"density": 4.1071595019542,
"density_atomic": 0.06687317991836753,
"volume": 358.88827223854076,
"volume_molar": 9.005315385557052,
"formula_full": "Se8 O16",
"formula_reduced": "SeO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.593093455555556,
"spacegroup": 135
},
{
"id": "jvasp-598",
"created_at": "2022-09-04T14:36:51.542932Z",
"updated_at": "2022-09-04T14:36:51.542959Z",
"structure_string": "Cr1 S2\n1.0\n6.719928 -0.246236 -0.145841\n6.124787 2.775796 -0.145841\n6.124787 1.206178 2.504285\nCr S\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.591216 0.591216 0.591218 S\n0.408783 0.408783 0.408784 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cr",
"S"
],
"chemical_system": "Cr-S",
"density": 3.6182855147209136,
"density_atomic": 0.05629180180953763,
"volume": 53.29372845712862,
"volume_molar": 10.698077813134875,
"formula_full": "Cr1 S2",
"formula_reduced": "CrS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.349935800000001,
"spacegroup": 166
},
{
"id": "jvasp-106659",
"created_at": "2022-09-04T14:36:46.917493Z",
"updated_at": "2022-09-04T14:36:46.917509Z",
"structure_string": "Y2 O4\n1.0\n3.728982 -0.000000 0.000000\n-0.000000 3.684235 0.565509\n0.000000 -0.856580 5.641675\nY O\n2 4\ndirect\n0.250000 0.249976 0.250017 Y\n0.750000 0.750023 0.749982 Y\n0.250000 0.749747 0.500035 O\n0.750000 0.250251 0.499964 O\n0.250000 0.750255 -0.000031 O\n0.750000 0.249744 0.000031 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"O"
],
"chemical_system": "O-Y",
"density": 5.062572534831654,
"density_atomic": 0.07564851580895042,
"volume": 79.31418000523554,
"volume_molar": 7.960685937591767,
"formula_full": "Y2 O4",
"formula_reduced": "YO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2853174833333334,
"spacegroup": 139
},
{
"id": "jvasp-18463",
"created_at": "2022-09-04T14:36:56.957022Z",
"updated_at": "2022-09-04T14:36:56.957038Z",
"structure_string": "Ti1 Br2\n1.0\n1.866824 -3.233433 0.000000\n1.866824 3.233433 -0.000000\n0.000000 0.000000 6.359038\nTi Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333332 0.666666 0.750682 Br\n0.666666 0.333332 0.249319 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Br"
],
"chemical_system": "Br-Ti",
"density": 4.492050797903942,
"density_atomic": 0.03907802414647362,
"volume": 76.76949041116549,
"volume_molar": 15.41055591098363,
"formula_full": "Ti1 Br2",
"formula_reduced": "TiBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7117455144444442,
"spacegroup": 164
},
{
"id": "jvasp-103485",
"created_at": "2022-09-04T14:36:46.111278Z",
"updated_at": "2022-09-04T14:36:46.111307Z",
"structure_string": "Fe2 Si1\n1.0\n2.587385 -0.015983 -4.064070\n-0.233011 2.576921 -4.064070\n0.014693 0.015983 4.817781\nFe Si\n2 1\ndirect\n0.338954 0.338954 -0.000000 Fe\n0.661045 0.661046 -0.000000 Fe\n0.000000 0.000000 0.000000 Si\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Fe",
"Si"
],
"chemical_system": "Fe-Si",
"density": 7.154260515876846,
"density_atomic": 0.0924710636882919,
"volume": 32.44258128264443,
"volume_molar": 6.512459703394205,
"formula_full": "Fe2 Si1",
"formula_reduced": "Fe2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 2.891406533333333,
"spacegroup": 139
},
{
"id": "jvasp-1169",
"created_at": "2022-09-04T14:36:56.136915Z",
"updated_at": "2022-09-04T14:36:56.136935Z",
"structure_string": "Th1 O2\n1.0\n3.442319 0.000000 1.987424\n1.147440 3.245450 1.987424\n0.000000 0.000000 3.974848\nTh O\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.250000 0.250000 0.250000 O\n0.750000 0.750000 0.749999 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Th",
"O"
],
"chemical_system": "O-Th",
"density": 9.873408242903558,
"density_atomic": 0.06755767460678476,
"volume": 44.40650181435807,
"volume_molar": 8.914073486175324,
"formula_full": "Th1 O2",
"formula_reduced": "ThO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.032657533333334,
"spacegroup": 225
},
{
"id": "jvasp-28392",
"created_at": "2022-09-04T14:36:55.989638Z",
"updated_at": "2022-09-04T14:36:55.989668Z",
"structure_string": "Si2 O4\n1.0\n3.809107 -0.000077 -0.000032\n0.000046 3.808720 -0.000089\n0.000020 0.000190 3.808749\nSi O\n2 4\ndirect\n0.809347 0.111254 0.918329 Si\n0.309358 0.611254 0.418326 Si\n0.559358 0.861255 0.668319 O\n0.059351 0.861267 0.168346 O\n0.559351 0.361248 0.168333 O\n0.059353 0.361260 0.668328 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 3.611233132226314,
"density_atomic": 0.10858421041915098,
"volume": 55.25665266468412,
"volume_molar": 5.546055671219282,
"formula_full": "Si2 O4",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4859418666666668,
"spacegroup": 224
},
{
"id": "jvasp-103216",
"created_at": "2022-09-04T14:36:46.236728Z",
"updated_at": "2022-09-04T14:36:46.236738Z",
"structure_string": "Si2 Se4\n1.0\n5.586455 0.084130 -3.135383\n-1.099794 5.094231 -3.726318\n-0.632049 -0.084130 6.374921\nSi Se\n2 4\ndirect\n0.000000 0.750000 0.750000 Si\n0.000000 0.250000 0.250000 Si\n0.904959 0.624219 0.280740 Se\n0.343480 0.124219 0.219261 Se\n0.095042 0.375781 0.719261 Se\n0.656521 0.875781 0.780739 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Si",
"Se"
],
"chemical_system": "Se-Si",
"density": 3.632194608839334,
"density_atomic": 0.035278936176138864,
"volume": 170.07315555218298,
"volume_molar": 17.070074703877022,
"formula_full": "Si2 Se4",
"formula_reduced": "SiSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.625691777777778,
"spacegroup": 72
},
{
"id": "jvasp-4152",
"created_at": "2022-09-04T14:36:56.063029Z",
"updated_at": "2022-09-04T14:36:56.063045Z",
"structure_string": "Nd2 O4\n1.0\n3.907453 0.017121 0.464239\n1.802069 3.467136 0.464239\n-0.010037 -0.006126 6.532884\nNd O\n2 4\ndirect\n0.802462 0.802463 0.231172 Nd\n0.197537 0.197537 0.768828 Nd\n0.847758 0.847758 0.858164 O\n0.152241 0.152241 0.141836 O\n0.578909 0.578910 0.571866 O\n0.421089 0.421090 0.428134 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nd",
"O"
],
"chemical_system": "Nd-O",
"density": 6.626705142564622,
"density_atomic": 0.06793027123798408,
"volume": 88.32586548903728,
"volume_molar": 8.86517991206348,
"formula_full": "Nd2 O4",
"formula_reduced": "NdO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9764611666666668,
"spacegroup": 12
},
{
"id": "jvasp-8264",
"created_at": "2022-09-04T14:36:51.811226Z",
"updated_at": "2022-09-04T14:36:51.811257Z",
"structure_string": "Mn1 O2\n1.0\n5.096671 -0.462368 -0.273852\n4.540790 2.360311 -0.273852\n4.540790 0.894236 2.201455\nMn O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.600999 0.600999 0.600999 O\n0.399001 0.399001 0.399001 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.154178766475137,
"density_atomic": 0.08632835462074268,
"volume": 34.75103878881494,
"volume_molar": 6.975854904748782,
"formula_full": "Mn1 O2",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.1037814137931043,
"spacegroup": 166
},
{
"id": "jvasp-50902",
"created_at": "2022-09-04T14:36:54.258636Z",
"updated_at": "2022-09-04T14:36:54.258645Z",
"structure_string": "Mn2 P4\n1.0\n2.760859 0.000000 0.000000\n0.000000 5.089573 0.000000\n0.000000 -0.000000 5.818412\nMn P\n2 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.172504 0.373046 P\n0.500000 0.327495 0.873045 P\n0.500000 0.672504 0.126954 P\n0.000000 0.827495 0.626954 P\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 4.747991611786267,
"density_atomic": 0.07338734987042925,
"volume": 81.75795979270869,
"volume_molar": 8.205965702035202,
"formula_full": "Mn2 P4",
"formula_reduced": "MnP2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.872602747126437,
"spacegroup": 58
},
{
"id": "jvasp-14762",
"created_at": "2022-09-04T14:36:51.499503Z",
"updated_at": "2022-09-04T14:36:51.499525Z",
"structure_string": "Sm2 Mg4\n1.0\n5.250332 0.000000 3.031280\n1.750110 4.950060 3.031280\n-0.000000 0.000000 6.062561\nSm Mg\n2 4\ndirect\n0.875000 0.875000 0.875000 Sm\n0.125000 0.125000 0.125000 Sm\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 0.500000 0.500000 Mg\n0.500000 -0.000000 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sm",
"Mg"
],
"chemical_system": "Mg-Sm",
"density": 4.193854335481456,
"density_atomic": 0.03808008414926901,
"volume": 157.5626770277286,
"volume_molar": 15.81441032639,
"formula_full": "Sm2 Mg4",
"formula_reduced": "SmMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3293664416666666,
"spacegroup": 227
}
]
}