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_reduced&page=108",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=106",
"results": [
{
"id": "jvasp-18438",
"created_at": "2022-09-04T14:35:47.379824Z",
"updated_at": "2022-09-04T14:35:47.379850Z",
"structure_string": "Al1 Pd5 I2\n1.0\n3.991150 0.000000 -0.809647\n-0.164246 3.987769 -0.809647\n0.043146 0.044960 10.454688\nAl Pd I\n1 5 2\ndirect\n0.500000 0.500000 -0.000000 Al\n0.088116 0.588117 0.176233 Pd\n0.588117 0.088117 0.176233 Pd\n0.411883 0.911884 0.823766 Pd\n0.911884 0.411883 0.823767 Pd\n0.000000 0.000000 0.000000 Pd\n0.183067 0.183067 0.366133 I\n0.816933 0.816934 0.633866 I\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Pd",
"I"
],
"chemical_system": "Al-I-Pd",
"density": 8.098121415295894,
"density_atomic": 0.04799468401236652,
"volume": 166.68512700153804,
"volume_molar": 12.547516217521736,
"formula_full": "Al1 Pd5 I2",
"formula_reduced": "AlPd5I2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.31420048125,
"spacegroup": 139
},
{
"id": "jvasp-12082",
"created_at": "2022-09-04T14:36:19.363316Z",
"updated_at": "2022-09-04T14:36:19.363337Z",
"structure_string": "Al1 Pd5 I2\n1.0\n3.991167 0.000000 -0.809650\n-0.164246 3.987787 -0.809650\n0.043174 0.044989 10.454869\nAl Pd I\n1 5 2\ndirect\n0.500000 0.500000 0.000000 Al\n0.088113 0.588114 0.176227 Pd\n0.588113 0.088113 0.176227 Pd\n0.411885 0.911888 0.823773 Pd\n0.911886 0.411887 0.823774 Pd\n0.000000 0.000000 0.000000 Pd\n0.183070 0.183070 0.366140 I\n0.816929 0.816931 0.633860 I\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Pd",
"I"
],
"chemical_system": "Al-I-Pd",
"density": 8.09790129503097,
"density_atomic": 0.04799337943788338,
"volume": 166.68965790071522,
"volume_molar": 12.547857288929414,
"formula_full": "Al1 Pd5 I2",
"formula_reduced": "AlPd5I2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.31420048125,
"spacegroup": 139
},
{
"id": "jvasp-105701",
"created_at": "2022-09-04T14:36:01.158954Z",
"updated_at": "2022-09-04T14:36:01.158979Z",
"structure_string": "Al2 Pd2 O6\n1.0\n3.205229 0.000000 -0.000000\n-1.602615 2.775810 0.000000\n-0.000000 -0.000000 11.868151\nAl Pd O\n2 2 6\ndirect\n0.333334 0.666667 0.250000 Al\n0.666668 0.333333 0.750000 Al\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.333334 0.666667 0.087190 O\n0.333334 0.666667 0.412810 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n0.666668 0.333333 0.587189 O\n0.666668 0.333333 0.912810 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Al",
"Pd",
"O"
],
"chemical_system": "Al-O-Pd",
"density": 5.7053709606643395,
"density_atomic": 0.0947039595816999,
"volume": 105.5922059032086,
"volume_molar": 6.358911271080252,
"formula_full": "Al2 Pd2 O6",
"formula_reduced": "AlPdO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8964278,
"spacegroup": 194
},
{
"id": "jvasp-121179",
"created_at": "2022-09-04T14:38:55.062536Z",
"updated_at": "2022-09-04T14:38:55.062564Z",
"structure_string": "Al1 P1 N1\n1.0\n4.025042 0.000000 0.000000\n-2.012521 3.485789 -0.000000\n0.000000 -0.000000 3.077620\nAl P N\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.666666 0.333334 0.000000 P\n0.333333 0.666668 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Al",
"P",
"N"
],
"chemical_system": "Al-N-P",
"density": 2.7673610173575494,
"density_atomic": 0.06947599058004726,
"volume": 43.18038469050007,
"volume_molar": 8.667945155904683,
"formula_full": "Al1 P1 N1",
"formula_reduced": "AlPN",
"formula_anonymous": "ABC",
"energy_above_hull": null,
"spacegroup": 187
},
{
"id": "jvasp-121181",
"created_at": "2022-09-04T14:38:54.618177Z",
"updated_at": "2022-09-04T14:38:54.618193Z",
"structure_string": "Al1 P1 N3\n1.0\n2.835961 0.000000 0.000000\n0.000000 2.451339 4.320306\n0.000000 -2.451339 4.320306\nAl P N\n1 1 3\ndirect\n0.000000 0.585669 0.585669 Al\n0.500000 0.916216 0.916216 P\n0.500000 0.773125 0.289205 N\n0.000000 0.807736 0.807736 N\n0.500000 0.289205 0.773125 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Al",
"P",
"N"
],
"chemical_system": "Al-N-P",
"density": 2.7637204854536437,
"density_atomic": 0.08323804501188974,
"volume": 60.06868613127325,
"volume_molar": 7.2348416630157475,
"formula_full": "Al1 P1 N3",
"formula_reduced": "AlPN3",
"formula_anonymous": "ABC3",
"energy_above_hull": null,
"spacegroup": 38
},
{
"id": "jvasp-32739",
"created_at": "2022-09-04T14:36:47.077679Z",
"updated_at": "2022-09-04T14:36:47.077710Z",
"structure_string": "Al2 P2 N2 Cl10\n1.0\n6.603655 -0.026753 1.600435\n2.147412 7.207062 3.709463\n-0.095316 0.038686 8.657904\nAl P N Cl\n2 2 2 10\ndirect\n0.906023 0.570499 0.624408 Al\n0.093975 0.429502 0.375592 Al\n0.284371 0.204009 0.741093 P\n0.715627 0.795992 0.258907 P\n0.127755 0.362875 0.609849 N\n0.872243 0.637125 0.390151 N\n0.585714 0.170735 0.645687 Cl\n0.741820 0.756171 0.043400 Cl\n0.987228 0.237576 0.341358 Cl\n0.753810 0.048787 0.177331 Cl\n0.012770 0.762425 0.658642 Cl\n0.246188 0.951214 0.822668 Cl\n0.258179 0.243829 0.956599 Cl\n0.414285 0.829266 0.354313 Cl\n0.355427 0.494633 0.198919 Cl\n0.644571 0.505368 0.801080 Cl\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Al",
"P",
"N",
"Cl"
],
"chemical_system": "Al-Cl-N-P",
"density": 2.004865716559449,
"density_atomic": 0.0387552986638692,
"volume": 412.84677325726517,
"volume_molar": 15.538883630419091,
"formula_full": "Al2 P2 N2 Cl10",
"formula_reduced": "AlPNCl5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 1.3729939859374998,
"spacegroup": 2
},
{
"id": "jvasp-114355",
"created_at": "2022-09-04T14:38:40.647884Z",
"updated_at": "2022-09-04T14:38:40.647906Z",
"structure_string": "Al1 P1 O1\n1.0\n4.097943 -0.000000 -0.000000\n-2.048972 3.548923 0.000000\n0.000000 -0.000000 2.848951\nAl P O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.666666 0.333333 0.000000 P\n0.333333 0.666667 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Al",
"P",
"O"
],
"chemical_system": "Al-O-P",
"density": 2.963926371651571,
"density_atomic": 0.07240587146071198,
"volume": 41.43310396626915,
"volume_molar": 8.31719947361957,
"formula_full": "Al1 P1 O1",
"formula_reduced": "AlPO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.0941406,
"spacegroup": 187
},
{
"id": "jvasp-113673",
"created_at": "2022-09-04T14:38:48.708450Z",
"updated_at": "2022-09-04T14:38:48.708477Z",
"structure_string": "Al1 P1 O1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nAl P O\n1 1 1\ndirect\n-0.061262 -0.023060 0.000000 Al\n0.053696 0.292218 0.000000 P\n0.262719 0.006195 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Al",
"P",
"O"
],
"chemical_system": "Al-O-P",
"density": 0.6394497277275798,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "Al1 P1 O1",
"formula_reduced": "AlPO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4159672666666667,
"spacegroup": 6
},
{
"id": "jvasp-113672",
"created_at": "2022-09-04T14:38:43.289883Z",
"updated_at": "2022-09-04T14:38:43.289908Z",
"structure_string": "Al1 P1 O1\n1.0\n4.233418 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nAl P O\n1 1 1\ndirect\n0.000000 0.000000 0.226817 Al\n0.000000 0.000000 0.764732 P\n0.000000 0.000000 0.021711 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Al",
"P",
"O"
],
"chemical_system": "Al-O-P",
"density": 0.809303519172941,
"density_atomic": 0.019770506832558536,
"volume": 151.74117818059824,
"volume_molar": 30.460224469726775,
"formula_full": "Al1 P1 O1",
"formula_reduced": "AlPO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.311703933333334,
"spacegroup": 99
},
{
"id": "jvasp-113675",
"created_at": "2022-09-04T14:38:48.243572Z",
"updated_at": "2022-09-04T14:38:48.243597Z",
"structure_string": "Al1 P1 O2\n1.0\n2.637345 0.000000 0.000000\n0.000000 2.637345 0.000000\n-0.000000 0.000000 6.612316\nAl P O\n1 1 2\ndirect\n0.500000 0.500000 0.583529 Al\n0.000000 0.000000 0.064968 P\n0.000000 0.000000 0.516279 O\n0.500000 0.500000 0.845226 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"P",
"O"
],
"chemical_system": "Al-O-P",
"density": 3.2477498612053655,
"density_atomic": 0.08697060698179285,
"volume": 45.992550113366384,
"volume_molar": 6.924340267351158,
"formula_full": "Al1 P1 O2",
"formula_reduced": "AlPO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.015696325,
"spacegroup": 99
},
{
"id": "jvasp-57574",
"created_at": "2022-09-04T14:37:27.979513Z",
"updated_at": "2022-09-04T14:37:27.979549Z",
"structure_string": "Al3 P3 O12\n1.0\n2.576463 -4.462564 0.000000\n2.576463 4.462564 -0.000000\n0.000000 -0.000000 11.360441\nAl P O\n3 3 12\ndirect\n-0.000000 0.500000 0.833333 Al\n0.500000 -0.000000 0.500000 Al\n0.499999 0.499999 0.166667 Al\n0.499999 0.499999 0.666667 P\n-0.000000 0.500000 0.333333 P\n0.500000 -0.000000 0.000000 P\n0.806454 0.579938 0.256059 O\n0.579938 0.773483 0.589392 O\n0.420061 0.193545 0.077274 O\n0.773483 0.193545 0.922726 O\n0.579938 0.806454 0.077274 O\n0.806454 0.226516 0.410608 O\n0.226516 0.420061 0.743941 O\n0.773483 0.579938 0.743941 O\n0.226516 0.806454 0.922726 O\n0.193545 0.773483 0.410608 O\n0.193545 0.420061 0.256059 O\n0.420061 0.226516 0.589392 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Al",
"P",
"O"
],
"chemical_system": "Al-O-P",
"density": 2.325567409577807,
"density_atomic": 0.06890313009341863,
"volume": 261.2363179378885,
"volume_molar": 8.74001043470043,
"formula_full": "Al3 P3 O12",
"formula_reduced": "AlPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.1846320500000007,
"spacegroup": 181
},
{
"id": "jvasp-57748",
"created_at": "2022-09-04T14:38:30.027550Z",
"updated_at": "2022-09-04T14:38:30.027570Z",
"structure_string": "Al2 P2 O8\n1.0\n4.992968 -0.003724 -0.000000\n-0.006742 4.992964 0.000000\n0.000000 0.000000 6.904297\nAl P O\n2 2 8\ndirect\n0.188935 0.188935 0.250000 Al\n0.811066 0.811065 0.750000 Al\n0.313181 0.686819 0.000000 P\n0.686820 0.313181 0.500000 P\n0.267026 0.390128 0.048898 O\n0.732974 0.609872 0.548898 O\n0.390128 0.267026 0.451102 O\n0.609873 0.732974 0.951102 O\n0.234781 0.855122 0.177948 O\n0.765220 0.144878 0.677948 O\n0.855123 0.234781 0.322052 O\n0.144878 0.765219 0.822052 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Al",
"P",
"O"
],
"chemical_system": "Al-O-P",
"density": 2.3530707339382446,
"density_atomic": 0.06971801300268367,
"volume": 172.12194500635124,
"volume_molar": 8.637854839276887,
"formula_full": "Al2 P2 O8",
"formula_reduced": "AlPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.1839037166666677,
"spacegroup": 20
}
]
}