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=532",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=530",
"results": [
{
"id": "jvasp-92765",
"created_at": "2022-09-04T14:35:53.770528Z",
"updated_at": "2022-09-04T14:35:53.770554Z",
"structure_string": "Rb1 V1 O3\n1.0\n3.891139 -0.000000 0.000000\n0.000000 3.891139 0.000000\n-0.000000 -0.000000 3.891139\nRb V O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"V",
"O"
],
"chemical_system": "O-Rb-V",
"density": 5.197535239575584,
"density_atomic": 0.08486717955777613,
"volume": 58.91559052691371,
"volume_molar": 7.09595958223194,
"formula_full": "Rb1 V1 O3",
"formula_reduced": "RbVO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.82932494,
"spacegroup": 221
},
{
"id": "jvasp-86503",
"created_at": "2022-09-04T14:35:53.681641Z",
"updated_at": "2022-09-04T14:35:53.681669Z",
"structure_string": "La2 Al2 O6\n1.0\n4.662982 0.003305 2.686721\n1.554306 4.396309 2.686721\n0.004670 0.003305 5.381620\nLa Al O\n2 2 6\ndirect\n0.250000 0.250001 0.250000 La\n0.750000 0.750002 0.749999 La\n0.000000 0.000000 0.000000 Al\n0.500000 0.500001 0.499999 Al\n0.750000 0.750001 0.249999 O\n0.749999 0.250002 0.749999 O\n0.250000 0.750001 0.749999 O\n0.750000 0.250001 0.250000 O\n0.250000 0.750001 0.249999 O\n0.250000 0.250001 0.749999 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"Al",
"O"
],
"chemical_system": "Al-La-O",
"density": 6.445098482704559,
"density_atomic": 0.09073392812522502,
"volume": 110.21235613428591,
"volume_molar": 6.637143221319192,
"formula_full": "La2 Al2 O6",
"formula_reduced": "LaAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.57853166,
"spacegroup": 221
},
{
"id": "jvasp-50108",
"created_at": "2022-09-04T14:35:50.248407Z",
"updated_at": "2022-09-04T14:35:50.248433Z",
"structure_string": "Lu2 Ga2 O6\n1.0\n3.443367 -0.000011 -0.000047\n-1.721694 2.982073 -0.000019\n-0.000160 -0.000171 11.710045\nLu Ga O\n2 2 6\ndirect\n-0.000002 0.000039 0.000001 Lu\n0.000015 -0.000003 0.500000 Lu\n0.333327 0.666677 0.249999 Ga\n0.666664 0.333362 0.750001 Ga\n0.333325 0.666703 0.085304 O\n0.000009 0.000025 0.250000 O\n0.333334 0.666655 0.414694 O\n-0.000016 0.000017 0.749999 O\n0.666665 0.333370 0.914697 O\n0.666682 0.333357 0.585305 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Lu",
"Ga",
"O"
],
"chemical_system": "Ga-Lu-O",
"density": 8.083974975422352,
"density_atomic": 0.08316501180972566,
"volume": 120.24287356417544,
"volume_molar": 7.241195099903473,
"formula_full": "Lu2 Ga2 O6",
"formula_reduced": "LuGaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.132903715,
"spacegroup": 194
},
{
"id": "jvasp-108167",
"created_at": "2022-09-04T14:35:50.661311Z",
"updated_at": "2022-09-04T14:35:50.661334Z",
"structure_string": "Mg2 Sc2 Se6\n1.0\n6.859132 0.461002 1.820605\n-3.879133 5.675609 1.820605\n0.188873 0.388939 6.443066\nMg Sc Se\n2 2 6\ndirect\n0.330291 0.669709 0.000001 Mg\n0.669709 0.330290 0.000001 Mg\n0.781297 0.781297 0.232147 Sc\n0.218703 0.218703 0.767855 Sc\n0.189044 0.885619 0.217052 Se\n0.810956 0.114381 0.782950 Se\n0.114381 0.810956 0.782950 Se\n0.885618 0.189043 0.217052 Se\n0.580918 0.580918 0.705369 Se\n0.419081 0.419081 0.294633 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"Se"
],
"chemical_system": "Mg-Sc-Se",
"density": 4.01940888574061,
"density_atomic": 0.03953317760138115,
"volume": 252.9520925646674,
"volume_molar": 15.233131069609765,
"formula_full": "Mg2 Sc2 Se6",
"formula_reduced": "MgScSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.02503688,
"spacegroup": 12
},
{
"id": "jvasp-38181",
"created_at": "2022-09-04T14:35:48.444538Z",
"updated_at": "2022-09-04T14:35:48.444568Z",
"structure_string": "K1 In1 O3\n1.0\n4.270261 0.000000 -0.000000\n-0.000000 4.270261 -0.000000\n-0.000000 0.000000 4.270261\nK In O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 In\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"In",
"O"
],
"chemical_system": "In-K-O",
"density": 4.3057949601131185,
"density_atomic": 0.06421060236501261,
"volume": 77.86876023334777,
"volume_molar": 9.378732698638215,
"formula_full": "K1 In1 O3",
"formula_reduced": "KInO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.029417694,
"spacegroup": 221
},
{
"id": "jvasp-91343",
"created_at": "2022-09-04T14:36:04.220197Z",
"updated_at": "2022-09-04T14:36:04.220217Z",
"structure_string": "Nb4 Te4 Br12\n1.0\n6.612030 0.000000 -0.893542\n0.000000 7.180704 0.000000\n0.005221 0.000000 12.697362\nNb Te Br\n4 4 12\ndirect\n0.930770 0.352124 0.852860 Nb\n0.069230 0.352124 0.647140 Nb\n0.069230 0.647876 0.147140 Nb\n0.930770 0.647876 0.352860 Nb\n0.189608 0.064034 0.805370 Te\n0.810392 0.935966 0.194630 Te\n0.189608 0.935966 0.305370 Te\n0.810392 0.064034 0.694630 Te\n0.744534 0.452129 0.196264 Br\n0.255466 0.452129 0.303736 Br\n0.153096 0.319506 0.045624 Br\n0.638260 0.787758 0.438538 Br\n0.361740 0.787758 0.061462 Br\n0.361740 0.212241 0.561462 Br\n0.638260 0.212241 0.938538 Br\n0.153096 0.680494 0.545624 Br\n0.846904 0.680494 0.954376 Br\n0.846904 0.319506 0.454376 Br\n0.744534 0.547872 0.696263 Br\n0.255466 0.547872 0.803736 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"Te",
"Br"
],
"chemical_system": "Br-Nb-Te",
"density": 5.070299043781823,
"density_atomic": 0.03317344099501139,
"volume": 602.8919340326376,
"volume_molar": 18.153500449065888,
"formula_full": "Nb4 Te4 Br12",
"formula_reduced": "NbTeBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1540958963333332,
"spacegroup": 13
},
{
"id": "jvasp-43790",
"created_at": "2022-09-04T14:36:03.187958Z",
"updated_at": "2022-09-04T14:36:03.187975Z",
"structure_string": "Li2 Fe2 F6\n1.0\n-2.887047 0.000311 -0.001130\n-0.000243 -4.945910 0.004523\n1.441050 0.006884 7.519597\nLi Fe F\n2 2 6\ndirect\n0.481477 0.004972 0.454319 Li\n0.525483 0.504980 0.545335 Li\n0.836202 0.477254 0.165130 Fe\n0.170797 0.977264 0.834535 Fe\n0.728829 0.726472 0.950605 F\n0.278134 0.226469 0.049059 F\n0.951480 0.252135 0.394798 F\n0.055550 0.752126 0.604883 F\n0.605054 0.207679 0.702975 F\n0.401998 0.707686 0.296683 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.7051462998744293,
"density_atomic": 0.09314028734748998,
"volume": 107.36492536996117,
"volume_molar": 6.465666932648013,
"formula_full": "Li2 Fe2 F6",
"formula_reduced": "LiFeF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2932992695,
"spacegroup": 36
},
{
"id": "jvasp-62584",
"created_at": "2022-09-04T14:35:51.334520Z",
"updated_at": "2022-09-04T14:35:51.334538Z",
"structure_string": "La1 B1 Rh3\n1.0\n4.287255 0.000000 0.000000\n-0.000000 4.287255 0.000000\n-0.000000 -0.000000 4.287255\nLa B Rh\n1 1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.499999 0.499999 0.499999 B\n0.000000 0.499999 0.499999 Rh\n0.499999 0.000000 0.499999 Rh\n0.499999 0.499999 0.000000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"B",
"Rh"
],
"chemical_system": "B-La-Rh",
"density": 9.660219508941212,
"density_atomic": 0.06345006302169559,
"volume": 78.80212819158811,
"volume_molar": 9.491150163146159,
"formula_full": "La1 B1 Rh3",
"formula_reduced": "LaBRh3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.0638833166666664,
"spacegroup": 221
},
{
"id": "jvasp-98882",
"created_at": "2022-09-04T14:35:51.231297Z",
"updated_at": "2022-09-04T14:35:51.231311Z",
"structure_string": "Ni4 Bi4 O12\n1.0\n5.371015 -0.079683 0.009254\n0.082226 5.553977 0.104801\n-0.015181 -0.143323 7.604876\nNi Bi O\n4 4 12\ndirect\n0.500000 0.000000 -0.000000 Ni\n0.000000 0.500000 -0.000000 Ni\n0.500001 0.000000 0.500000 Ni\n0.000001 0.500001 0.500000 Ni\n0.991078 0.056594 0.750006 Bi\n0.491076 0.443409 0.250011 Bi\n0.508925 0.556593 0.749989 Bi\n0.008924 0.943408 0.249994 Bi\n0.417618 0.977394 0.749998 O\n0.582384 0.022608 0.250002 O\n0.702645 0.294009 0.539354 O\n0.202646 0.205993 0.039352 O\n0.797356 0.794009 0.960648 O\n0.702665 0.293999 0.960632 O\n0.297337 0.706002 0.039367 O\n0.797339 0.794002 0.539371 O\n0.202663 0.206000 0.460629 O\n0.297356 0.705993 0.460646 O\n0.082383 0.477394 0.750001 O\n0.917619 0.522608 0.249999 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ni",
"Bi",
"O"
],
"chemical_system": "Bi-Ni-O",
"density": 9.237219929171143,
"density_atomic": 0.08811018820764852,
"volume": 226.98850617440715,
"volume_molar": 6.834783675422045,
"formula_full": "Ni4 Bi4 O12",
"formula_reduced": "NiBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7225554399999998,
"spacegroup": 62
},
{
"id": "jvasp-92279",
"created_at": "2022-09-04T14:36:04.253220Z",
"updated_at": "2022-09-04T14:36:04.253249Z",
"structure_string": "Mn3 Zn1 N1\n1.0\n3.786260 -0.000000 -0.000000\n0.000000 3.786260 -0.000000\n0.000000 0.000000 3.786260\nMn Zn N\n3 1 1\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"N"
],
"chemical_system": "Mn-N-Zn",
"density": 7.4716498914123886,
"density_atomic": 0.09211677060477387,
"volume": 54.27893278469838,
"volume_molar": 6.537507470640649,
"formula_full": "Mn3 Zn1 N1",
"formula_reduced": "Mn3ZnN",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.423489074827586,
"spacegroup": 221
},
{
"id": "jvasp-38330",
"created_at": "2022-09-04T14:35:53.788590Z",
"updated_at": "2022-09-04T14:35:53.788616Z",
"structure_string": "Rb1 B1 O3\n1.0\n3.681915 -0.000000 0.000000\n0.000000 3.681915 0.000000\n-0.000000 -0.000000 3.681915\nRb B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500001 0.500001 B\n0.500001 0.500001 0.000000 O\n0.500001 0.000000 0.500001 O\n0.000000 0.500001 0.500001 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"B",
"O"
],
"chemical_system": "B-O-Rb",
"density": 4.79981972391236,
"density_atomic": 0.10017255006000121,
"volume": 49.913873581186735,
"volume_molar": 6.011767451655037,
"formula_full": "Rb1 B1 O3",
"formula_reduced": "RbBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.2093986166666664,
"spacegroup": 221
},
{
"id": "jvasp-37300",
"created_at": "2022-09-04T14:35:48.408247Z",
"updated_at": "2022-09-04T14:35:48.408272Z",
"structure_string": "Sr1 Ca1 O3\n1.0\n4.346773 -0.000000 -0.000000\n0.000000 4.346773 -0.000000\n0.000000 0.000000 4.346773\nSr Ca O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"O"
],
"chemical_system": "Ca-O-Sr",
"density": 3.5523077531356257,
"density_atomic": 0.0608792259582588,
"volume": 82.12982214044898,
"volume_molar": 9.891946990470965,
"formula_full": "Sr1 Ca1 O3",
"formula_reduced": "SrCaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.9221134459999998,
"spacegroup": 221
}
]
}