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=energy_above_hull&page=1246",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1244",
"results": [
{
"id": "jvasp-13102",
"created_at": "2022-09-04T14:36:33.891055Z",
"updated_at": "2022-09-04T14:36:33.891070Z",
"structure_string": "Sr4 Ge2 Se8\n1.0\n6.470753 0.012054 0.000000\n-2.179577 6.092638 0.000000\n0.000000 -0.000000 10.340679\nSr Ge Se\n4 2 8\ndirect\n0.747196 0.362456 0.250000 Sr\n0.362456 0.747197 0.750000 Sr\n0.001525 0.001525 0.500000 Sr\n0.001525 0.001525 0.000000 Sr\n0.759984 0.312354 0.750000 Ge\n0.312353 0.759984 0.250000 Ge\n0.264307 0.114348 0.250000 Se\n0.114348 0.264308 0.750000 Se\n0.702065 0.835747 0.250000 Se\n0.835747 0.702066 0.750000 Se\n0.137314 0.571830 0.441324 Se\n0.571830 0.137314 0.558676 Se\n0.137314 0.571830 0.058676 Se\n0.571830 0.137314 0.941324 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"Se"
],
"chemical_system": "Ge-Se-Sr",
"density": 4.589273700884197,
"density_atomic": 0.03431859177554306,
"volume": 407.94214668146776,
"volume_molar": 17.54775020894547,
"formula_full": "Sr4 Ge2 Se8",
"formula_reduced": "Sr2GeSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.6581988623809525,
"spacegroup": 40
},
{
"id": "jvasp-53119",
"created_at": "2022-09-04T14:37:27.192967Z",
"updated_at": "2022-09-04T14:37:27.193003Z",
"structure_string": "Ba4 N2 F2\n1.0\n-5.720867 -0.000475 -0.001255\n-0.001449 -5.704597 -0.001439\n2.860155 2.851338 5.759789\nBa N F\n4 2 2\ndirect\n0.770983 0.767201 0.533880 Ba\n0.236467 0.233422 0.466007 Ba\n0.487210 0.983456 0.966345 Ba\n0.020559 0.517532 0.034218 Ba\n0.991496 0.997371 -0.000081 N\n0.241665 0.747610 0.500325 N\n0.500290 0.499777 0.000517 F\n0.749909 0.249377 0.499771 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"N",
"F"
],
"chemical_system": "Ba-F-N",
"density": 5.436970984042447,
"density_atomic": 0.042569459827060084,
"volume": 187.92815395121946,
"volume_molar": 14.146622448264921,
"formula_full": "Ba4 N2 F2",
"formula_reduced": "Ba2NF",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6583413681249999,
"spacegroup": 46
},
{
"id": "jvasp-38157",
"created_at": "2022-09-04T14:36:06.338432Z",
"updated_at": "2022-09-04T14:36:06.338449Z",
"structure_string": "Rb4 N1 O1\n1.0\n4.886029 0.000000 0.000000\n0.000000 4.886029 0.000000\n0.000000 0.000000 6.906436\nRb N O\n4 1 1\ndirect\n0.000000 0.500000 0.744140 Rb\n0.500000 0.000000 0.255861 Rb\n0.000000 0.500000 0.255861 Rb\n0.500000 0.000000 0.744140 Rb\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Rb",
"N",
"O"
],
"chemical_system": "N-O-Rb",
"density": 3.745266226474743,
"density_atomic": 0.036390261638394115,
"volume": 164.87927620914948,
"volume_molar": 16.54877016230696,
"formula_full": "Rb4 N1 O1",
"formula_reduced": "Rb4NO",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6583494583333334,
"spacegroup": 123
},
{
"id": "jvasp-89898",
"created_at": "2022-09-04T14:36:07.723304Z",
"updated_at": "2022-09-04T14:36:07.723332Z",
"structure_string": "Sc3 Cu3 Ge3\n1.0\n0.000000 0.000000 -3.964077\n-3.275622 -5.673544 0.000000\n-3.275404 5.673418 0.000000\nSc Cu Ge\n3 3 3\ndirect\n0.000000 0.574320 0.000000 Sc\n0.000000 0.425697 0.425685 Sc\n0.000000 0.000012 0.574314 Sc\n0.500000 0.245224 0.000000 Cu\n0.500000 0.754797 0.754784 Cu\n0.500000 0.000013 0.245215 Cu\n0.500000 0.666676 0.333335 Ge\n0.500000 0.333340 0.666665 Ge\n0.000000 0.000017 0.000000 Ge\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sc",
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge-Sc",
"density": 6.1247489254266485,
"density_atomic": 0.06108597356749395,
"volume": 147.33333160444585,
"volume_molar": 9.858467350685885,
"formula_full": "Sc3 Cu3 Ge3",
"formula_reduced": "ScCuGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6583905499999999,
"spacegroup": 189
},
{
"id": "jvasp-107773",
"created_at": "2022-09-04T14:35:47.404171Z",
"updated_at": "2022-09-04T14:35:47.404202Z",
"structure_string": "Ca3 Cd1 O4\n1.0\n3.393965 0.000000 0.000000\n0.000000 3.393965 0.000000\n-0.000000 -0.000000 9.553350\nCa Cd O\n3 1 4\ndirect\n0.499999 0.499999 0.753981 Ca\n0.000000 0.000000 0.500000 Ca\n0.499999 0.499999 0.246019 Ca\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.251076 O\n0.499999 0.499999 -0.000000 O\n0.000000 0.000000 0.748924 O\n0.499999 0.499999 0.500000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"O"
],
"chemical_system": "Ca-Cd-O",
"density": 4.476228094185969,
"density_atomic": 0.07269751725846531,
"volume": 110.04502356740987,
"volume_molar": 8.283832773255746,
"formula_full": "Ca3 Cd1 O4",
"formula_reduced": "Ca3CdO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.6584489175000001,
"spacegroup": 123
},
{
"id": "jvasp-69081",
"created_at": "2022-09-04T14:35:42.192684Z",
"updated_at": "2022-09-04T14:35:42.192703Z",
"structure_string": "K2 Ba1 Mn1\n1.0\n4.187415 0.000000 -0.000000\n0.000000 4.187415 -0.000000\n-0.000000 -0.000000 11.207414\nK Ba Mn\n2 1 1\ndirect\n0.000000 0.000000 0.007989 K\n0.499999 0.499999 0.685645 K\n0.499999 0.499999 0.323057 Ba\n0.000000 0.000000 0.483309 Mn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Mn"
],
"chemical_system": "Ba-K-Mn",
"density": 2.285374402826672,
"density_atomic": 0.02035459977754599,
"volume": 196.5157774515698,
"volume_molar": 29.586141834354684,
"formula_full": "K2 Ba1 Mn1",
"formula_reduced": "K2BaMn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6586548028448275,
"spacegroup": 99
},
{
"id": "jvasp-69262",
"created_at": "2022-09-04T14:36:18.669554Z",
"updated_at": "2022-09-04T14:36:18.669575Z",
"structure_string": "K2 Ba1 Mn1\n1.0\n4.190889 -0.000000 0.000000\n-0.000000 4.190889 0.000000\n-0.000000 -0.000000 11.192569\nK Ba Mn\n2 1 1\ndirect\n0.000000 0.000000 -0.008076 K\n0.500000 0.500000 0.314271 K\n0.500000 0.500000 0.677020 Ba\n0.000000 0.000000 0.516786 Mn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Mn"
],
"chemical_system": "Ba-K-Mn",
"density": 2.28461322105873,
"density_atomic": 0.020347820341220263,
"volume": 196.58125209100993,
"volume_molar": 29.595999271727653,
"formula_full": "K2 Ba1 Mn1",
"formula_reduced": "K2BaMn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6586623028448275,
"spacegroup": 99
},
{
"id": "jvasp-105422",
"created_at": "2022-09-04T14:36:46.982850Z",
"updated_at": "2022-09-04T14:36:46.982865Z",
"structure_string": "Pd1 Au1\n1.0\n2.753079 0.003616 4.086647\n1.250810 2.452536 4.086647\n0.005895 0.003616 4.927483\nPd Au\n1 1\ndirect\n0.499998 0.500002 0.500000 Pd\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pd",
"Au"
],
"chemical_system": "Au-Pd",
"density": 15.189348887648054,
"density_atomic": 0.06030088766769165,
"volume": 33.16700760727891,
"volume_molar": 9.986819419951221,
"formula_full": "Pd1 Au1",
"formula_reduced": "PdAu",
"formula_anonymous": "AB",
"energy_above_hull": 0.6588066350000001,
"spacegroup": 166
},
{
"id": "jvasp-39250",
"created_at": "2022-09-04T14:37:56.013059Z",
"updated_at": "2022-09-04T14:37:56.013086Z",
"structure_string": "Hg3 C1\n1.0\n-2.164298 2.164298 4.220648\n2.164298 -2.164298 4.220648\n2.164298 2.164298 -4.220648\nHg C\n3 1\ndirect\n0.750001 0.250000 0.500001 Hg\n0.250000 0.750001 0.500001 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"C"
],
"chemical_system": "C-Hg",
"density": 12.888105554858747,
"density_atomic": 0.05058092299605967,
"volume": 79.08119826741014,
"volume_molar": 11.9059526858953,
"formula_full": "Hg3 C1",
"formula_reduced": "Hg3C",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6589434499999999,
"spacegroup": 139
},
{
"id": "jvasp-37159",
"created_at": "2022-09-04T14:38:04.197168Z",
"updated_at": "2022-09-04T14:38:04.197194Z",
"structure_string": "Na1 Sm1 S2\n1.0\n-2.029166 -3.514619 -0.000000\n-4.058333 -0.000000 -0.000000\n-2.029166 -1.171539 -6.613009\nNa Sm S\n1 1 2\ndirect\n0.500000 0.500001 0.500000 Na\n0.000000 0.000000 0.000000 Sm\n0.744784 0.744785 0.765647 S\n0.255216 0.255216 0.234353 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sm",
"S"
],
"chemical_system": "Na-S-Sm",
"density": 4.180716033882948,
"density_atomic": 0.04240674566707686,
"volume": 94.3246159797983,
"volume_molar": 14.200902864082266,
"formula_full": "Na1 Sm1 S2",
"formula_reduced": "NaSmS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6589669687499999,
"spacegroup": 166
},
{
"id": "jvasp-39208",
"created_at": "2022-09-04T14:37:48.689584Z",
"updated_at": "2022-09-04T14:37:48.689597Z",
"structure_string": "Ho1 Lu1 Au2\n1.0\n0.000008 3.534127 3.534149\n3.534136 0.000021 3.534136\n3.534163 3.534141 -0.000006\nHo Lu Au\n1 1 2\ndirect\n0.249998 0.250002 0.250001 Ho\n0.750003 0.749997 0.750002 Lu\n0.499998 0.500002 0.499999 Au\n-0.000000 -0.000001 0.999998 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Lu",
"Au"
],
"chemical_system": "Au-Ho-Lu",
"density": 13.802706798463838,
"density_atomic": 0.04530847273067715,
"volume": 88.28370851908471,
"volume_molar": 13.291422987918482,
"formula_full": "Ho1 Lu1 Au2",
"formula_reduced": "HoLuAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6592691141666667,
"spacegroup": 225
},
{
"id": "jvasp-114969",
"created_at": "2022-09-04T14:38:43.518678Z",
"updated_at": "2022-09-04T14:38:43.518697Z",
"structure_string": "In1 Ga1 O2\n1.0\n1.662590 0.959897 6.656618\n-1.662590 0.959897 6.656618\n-0.000000 -1.919793 6.656618\nIn Ga O\n1 1 2\ndirect\n0.000241 0.000241 0.000241 In\n0.825999 0.825999 0.825994 Ga\n0.729635 0.729635 0.729631 O\n0.285128 0.285128 0.285127 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Ga",
"O"
],
"chemical_system": "Ga-In-O",
"density": 5.6412103729607495,
"density_atomic": 0.0627545844865134,
"volume": 63.740363078328414,
"volume_molar": 9.596335963780016,
"formula_full": "In1 Ga1 O2",
"formula_reduced": "InGaO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6592973237499999,
"spacegroup": 160
}
]
}