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=id&page=575",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=573",
"results": [
{
"id": "jvasp-109896",
"created_at": "2022-09-04T14:38:02.972727Z",
"updated_at": "2022-09-04T14:38:02.972754Z",
"structure_string": "Rb2 Tl1 Sb1 Br6\n1.0\n7.182185 -0.000000 4.146637\n2.394062 6.771429 4.146637\n-0.000000 -0.000000 8.293273\nRb Tl Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n0.761142 0.238858 0.238858 Br\n0.238858 0.238858 0.761142 Br\n0.238858 0.761142 0.761142 Br\n0.238858 0.761142 0.238859 Br\n0.761142 0.238858 0.761142 Br\n0.761142 0.761142 0.238859 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"Sb",
"Br"
],
"chemical_system": "Br-Rb-Sb-Tl",
"density": 4.020311982323994,
"density_atomic": 0.024793459051720673,
"volume": 403.33218447411423,
"volume_molar": 24.289231879414025,
"formula_full": "Rb2 Tl1 Sb1 Br6",
"formula_reduced": "Rb2TlSbBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109897",
"created_at": "2022-09-04T14:38:05.692152Z",
"updated_at": "2022-09-04T14:38:05.692173Z",
"structure_string": "K1 Rb2 Ga1 Cl6\n1.0\n6.460371 -0.000000 3.729897\n2.153457 6.090896 3.729897\n-0.000000 -0.000000 7.459793\nK Rb Ga Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.774400 0.225601 0.225601 Cl\n0.225601 0.225601 0.774399 Cl\n0.225601 0.774400 0.774399 Cl\n0.225601 0.774400 0.225600 Cl\n0.774400 0.225601 0.774400 Cl\n0.774400 0.774400 0.225601 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Ga",
"Cl"
],
"chemical_system": "Cl-Ga-K-Rb",
"density": 2.785914466634971,
"density_atomic": 0.03406705411624827,
"volume": 293.5387358671117,
"volume_molar": 17.67731585904207,
"formula_full": "K1 Rb2 Ga1 Cl6",
"formula_reduced": "KRb2GaCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109898",
"created_at": "2022-09-04T14:37:26.913485Z",
"updated_at": "2022-09-04T14:37:26.913511Z",
"structure_string": "Rb2 Na1 Sc1 Cl6\n1.0\n6.318418 -0.000000 3.647940\n2.106139 5.957061 3.647940\n-0.000000 -0.000000 7.295880\nRb Na Sc Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sc\n0.759623 0.240377 0.240377 Cl\n0.240377 0.240377 0.759623 Cl\n0.240377 0.759623 0.759623 Cl\n0.240377 0.759623 0.240377 Cl\n0.759623 0.240377 0.759623 Cl\n0.759623 0.759623 0.240377 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Sc",
"Cl"
],
"chemical_system": "Cl-Na-Rb-Sc",
"density": 2.730764550345338,
"density_atomic": 0.036415134372378574,
"volume": 274.61109707136353,
"volume_molar": 16.53746680821775,
"formula_full": "Rb2 Na1 Sc1 Cl6",
"formula_reduced": "Rb2NaScCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109899",
"created_at": "2022-09-04T14:38:09.811996Z",
"updated_at": "2022-09-04T14:38:09.812021Z",
"structure_string": "Rb2 Sc1 Tl1 F6\n1.0\n5.674782 -0.000000 3.276337\n1.891594 5.350236 3.276337\n-0.000000 -0.000000 6.552674\nRb Sc Tl F\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.499999 0.500000 0.500000 Tl\n0.781808 0.218192 0.218192 F\n0.218191 0.218192 0.781808 F\n0.218191 0.781809 0.781808 F\n0.218191 0.781809 0.218192 F\n0.781808 0.218192 0.781808 F\n0.781807 0.781809 0.218193 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Sc",
"Tl",
"F"
],
"chemical_system": "F-Rb-Sc-Tl",
"density": 4.45928598706658,
"density_atomic": 0.050264262662523804,
"volume": 198.94850675798003,
"volume_molar": 11.980959116883671,
"formula_full": "Rb2 Sc1 Tl1 F6",
"formula_reduced": "Rb2ScTlF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109901",
"created_at": "2022-09-04T14:38:12.190082Z",
"updated_at": "2022-09-04T14:38:12.190094Z",
"structure_string": "Na1 Ti1 F3\n1.0\n4.130856 -0.000000 0.000000\n0.000000 4.130856 0.000000\n-0.000000 -0.000000 4.130856\nNa Ti F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ti\n-0.000000 0.500000 -0.000000 F\n0.500000 0.000000 -0.000000 F\n0.000000 0.000000 0.500000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Ti",
"F"
],
"chemical_system": "F-Na-Ti",
"density": 3.01187111966376,
"density_atomic": 0.0709332463945905,
"volume": 70.48880819842624,
"volume_molar": 8.489870499511296,
"formula_full": "Na1 Ti1 F3",
"formula_reduced": "NaTiF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.1582288333333333,
"spacegroup": 221
},
{
"id": "jvasp-109902",
"created_at": "2022-09-04T14:38:19.242545Z",
"updated_at": "2022-09-04T14:38:19.242568Z",
"structure_string": "Na1 Cu1 O2\n1.0\n3.740925 0.000000 0.000000\n0.000000 3.740925 0.000000\n-0.000000 -0.000000 3.245466\nNa Cu O\n1 1 2\ndirect\n0.500001 0.500001 0.500001 Na\n0.000000 0.000000 0.000000 Cu\n-0.000000 0.500001 -0.000000 O\n0.500001 0.000000 -0.000000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cu",
"O"
],
"chemical_system": "Cu-Na-O",
"density": 4.333702125210148,
"density_atomic": 0.0880693771529116,
"volume": 45.418738377755844,
"volume_molar": 6.837950891311493,
"formula_full": "Na1 Cu1 O2",
"formula_reduced": "NaCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6851458749999999,
"spacegroup": 123
},
{
"id": "jvasp-109903",
"created_at": "2022-09-04T14:38:18.457420Z",
"updated_at": "2022-09-04T14:38:18.457443Z",
"structure_string": "Li1 Ti2 Bi1 O6\n1.0\n4.707844 -0.006970 2.912429\n1.619516 4.420522 2.912429\n-0.009993 -0.006970 5.535877\nLi Ti Bi O\n1 2 1 6\ndirect\n0.700049 0.700048 0.700049 Li\n0.988165 0.988164 0.988165 Ti\n0.486265 0.486265 0.486265 Ti\n0.218959 0.218958 0.218959 Bi\n0.264808 0.820309 0.683724 O\n0.820310 0.683723 0.264807 O\n0.683724 0.264807 0.820310 O\n0.344804 0.766405 0.160713 O\n0.160714 0.344804 0.766405 O\n0.766404 0.160713 0.344804 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Bi",
"O"
],
"chemical_system": "Bi-Li-O-Ti",
"density": 5.86272908127731,
"density_atomic": 0.08660866891155271,
"volume": 115.46188303866315,
"volume_molar": 6.95327712073486,
"formula_full": "Li1 Ti2 Bi1 O6",
"formula_reduced": "LiTi2BiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.576207196666667,
"spacegroup": 146
},
{
"id": "jvasp-109904",
"created_at": "2022-09-04T14:37:53.121069Z",
"updated_at": "2022-09-04T14:37:53.121095Z",
"structure_string": "Rb2 In2 H6\n1.0\n5.300945 -0.000000 3.060502\n1.766982 4.997779 3.060502\n-0.000000 -0.000000 6.121005\nRb In H\n2 2 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.499999 In\n0.237277 0.762723 0.762722 H\n0.237277 0.762723 0.237277 H\n0.762723 0.237277 0.762721 H\n0.762723 0.762723 0.237276 H\n0.237278 0.237277 0.762722 H\n0.762723 0.237277 0.237277 H\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"In",
"H"
],
"chemical_system": "H-In-Rb",
"density": 4.163743247743118,
"density_atomic": 0.06166616202192959,
"volume": 162.16348921542777,
"volume_molar": 9.765713581880481,
"formula_full": "Rb2 In2 H6",
"formula_reduced": "RbInH3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3333359939999996,
"spacegroup": 225
},
{
"id": "jvasp-109905",
"created_at": "2022-09-04T14:37:55.455150Z",
"updated_at": "2022-09-04T14:37:55.455176Z",
"structure_string": "Ba1 Na1 Cu1 Br1 O2\n1.0\n3.974440 -0.000000 0.000000\n0.000000 3.974440 0.000000\n-0.000000 -0.000000 7.188690\nBa Na Cu Br O\n1 1 1 1 2\ndirect\n0.000000 0.000000 0.472257 Ba\n0.000000 0.000000 0.033410 Na\n0.500000 0.500000 0.210915 Cu\n0.500000 0.500000 0.755728 Br\n-0.000000 0.500000 0.231885 O\n0.500000 0.000000 0.231885 O\n",
"nsites": 6,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Cu",
"Br",
"O"
],
"chemical_system": "Ba-Br-Cu-Na-O",
"density": 4.910023959589851,
"density_atomic": 0.0528383934539454,
"volume": 113.5537931377432,
"volume_molar": 11.397282101790193,
"formula_full": "Ba1 Na1 Cu1 Br1 O2",
"formula_reduced": "BaNaCuBrO2",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 0.3320260875,
"spacegroup": 99
},
{
"id": "jvasp-109906",
"created_at": "2022-09-04T14:38:17.167234Z",
"updated_at": "2022-09-04T14:38:17.167255Z",
"structure_string": "Li2 Pr2 S4\n1.0\n5.187588 0.014104 -4.643986\n-1.027094 5.084913 -4.643986\n-0.011508 -0.014104 6.962581\nLi Pr S\n2 2 4\ndirect\n0.250000 0.750000 0.499999 Li\n0.500000 0.499999 -0.000001 Li\n0.000000 0.000000 0.000000 Pr\n0.750000 0.250000 0.499999 Pr\n0.499523 -0.000477 0.500000 S\n0.000477 0.500477 0.500000 S\n0.749524 0.749522 -0.000001 S\n0.250477 0.250477 -0.000000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Pr",
"S"
],
"chemical_system": "Li-Pr-S",
"density": 3.845200164162707,
"density_atomic": 0.043695601697558255,
"volume": 183.08478861036136,
"volume_molar": 13.782029600330512,
"formula_full": "Li2 Pr2 S4",
"formula_reduced": "LiPrS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0600349625,
"spacegroup": 141
},
{
"id": "jvasp-109907",
"created_at": "2022-09-04T14:38:04.609529Z",
"updated_at": "2022-09-04T14:38:04.609550Z",
"structure_string": "Li1 N1 O2\n1.0\n3.852807 0.024667 -0.674601\n-1.089624 2.690744 -2.621533\n0.008305 -0.024667 3.911411\nLi N O\n1 1 2\ndirect\n0.583555 -0.000000 0.583554 Li\n0.133916 -0.000000 0.133916 N\n0.203847 0.209093 0.994751 O\n0.785660 0.790905 0.994752 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"N",
"O"
],
"chemical_system": "Li-N-O",
"density": 2.1761411625118567,
"density_atomic": 0.0990058145396221,
"volume": 40.401667504075746,
"volume_molar": 6.082613216206551,
"formula_full": "Li1 N1 O2",
"formula_reduced": "LiNO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.4130825625,
"spacegroup": 44
},
{
"id": "jvasp-109908",
"created_at": "2022-09-04T14:38:07.165001Z",
"updated_at": "2022-09-04T14:38:07.165023Z",
"structure_string": "Li2 Mn2 F6\n1.0\n4.993537 -0.004078 0.000000\n-4.101838 2.847868 0.000000\n-0.000000 -0.000000 7.058335\nLi Mn F\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.747886 0.252114 0.250000 Mn\n0.252114 0.747886 0.749999 Mn\n0.642086 0.357914 0.567610 F\n0.911275 0.088725 0.749999 F\n0.642086 0.357914 0.932389 F\n0.357914 0.642087 0.432389 F\n0.357914 0.642087 0.067610 F\n0.088726 0.911275 0.250000 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.9377454859787635,
"density_atomic": 0.09974261324122596,
"volume": 100.25805094774442,
"volume_molar": 6.037680951305683,
"formula_full": "Li2 Mn2 F6",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4177316177758621,
"spacegroup": 63
}
]
}