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=created_at&page=4341",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=4339",
"results": [
{
"id": "jvasp-111058",
"created_at": "2022-09-04T14:38:46.469428Z",
"updated_at": "2022-09-04T14:38:46.469450Z",
"structure_string": "Ga1 Sb1\n1.0\n4.199747 -0.021279 -0.598725\n-3.162889 2.763052 -0.598725\n0.008047 0.021279 4.242202\nGa Sb\n1 1\ndirect\n0.750001 0.250000 0.499999 Ga\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ga",
"Sb"
],
"chemical_system": "Ga-Sb",
"density": 6.482635871175158,
"density_atomic": 0.04077578241988396,
"volume": 49.048721601592554,
"volume_molar": 14.768915279142151,
"formula_full": "Ga1 Sb1",
"formula_reduced": "GaSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.3985992125000001,
"spacegroup": 119
},
{
"id": "jvasp-115680",
"created_at": "2022-09-04T14:38:46.470111Z",
"updated_at": "2022-09-04T14:38:46.470139Z",
"structure_string": "Pb1 Br1 Cl1\n1.0\n5.992044 0.000000 -0.000000\n0.000000 5.992044 -0.000000\n-0.000000 -0.000000 9.375867\nPb Br Cl\n1 1 1\ndirect\n0.000000 0.000000 -0.000583 Pb\n0.000000 0.000000 0.291504 Br\n0.000000 0.000000 0.722766 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Pb",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Pb",
"density": 1.591087790320823,
"density_atomic": 0.008911685039984197,
"volume": 336.6366726988053,
"volume_molar": 67.57578093234181,
"formula_full": "Pb1 Br1 Cl1",
"formula_reduced": "PbBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3446033333333334,
"spacegroup": 99
},
{
"id": "jvasp-117605",
"created_at": "2022-09-04T14:38:46.471337Z",
"updated_at": "2022-09-04T14:38:46.471364Z",
"structure_string": "Ba1 Mg1 Te1\n1.0\n5.957290 0.000000 -0.000000\n-2.978645 5.159164 0.000000\n-0.000000 0.000000 4.506154\nBa Mg Te\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333334 0.666666 0.000000 Mg\n0.666666 0.333333 0.000000 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Te"
],
"chemical_system": "Ba-Mg-Te",
"density": 3.467858214602035,
"density_atomic": 0.021661431284857258,
"volume": 138.49500342561362,
"volume_molar": 27.801213506190912,
"formula_full": "Ba1 Mg1 Te1",
"formula_reduced": "BaMgTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1168766666666666,
"spacegroup": 187
},
{
"id": "jvasp-113119",
"created_at": "2022-09-04T14:38:46.471877Z",
"updated_at": "2022-09-04T14:38:46.471913Z",
"structure_string": "Ba1 Sr1 Er1 Cu3 O7\n1.0\n3.754066 -0.000000 0.000000\n0.000000 3.897642 0.000000\n-0.000000 0.000000 11.545735\nBa Sr Er Cu O\n1 1 1 3 7\ndirect\n0.500000 0.500000 0.180308 Ba\n0.500000 0.500000 0.817979 Sr\n0.500000 0.500000 0.503892 Er\n0.000000 0.000000 0.356703 Cu\n0.000000 0.000000 0.651374 Cu\n0.000000 0.000000 0.995068 Cu\n0.000000 0.000000 0.157806 O\n0.000000 0.000000 0.833194 O\n0.500000 0.000000 0.384498 O\n0.500000 0.000000 0.622827 O\n-0.000000 0.500000 0.381510 O\n-0.000000 0.500000 0.628467 O\n-0.000000 0.500000 0.986370 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Er",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-Er-O-Sr",
"density": 6.829805699680702,
"density_atomic": 0.07695164653994127,
"volume": 168.93725585523933,
"volume_molar": 7.82587641821835,
"formula_full": "Ba1 Sr1 Er1 Cu3 O7",
"formula_reduced": "BaSrErCu3O7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 1.367572163846154,
"spacegroup": 25
},
{
"id": "jvasp-117078",
"created_at": "2022-09-04T14:38:46.479394Z",
"updated_at": "2022-09-04T14:38:46.479421Z",
"structure_string": "Li1 Mn5 O7 F1\n1.0\n5.216659 -0.005037 2.874534\n1.695799 4.933338 2.874534\n-0.007064 -0.005037 5.956210\nLi Mn O F\n1 5 7 1\ndirect\n0.763449 0.763447 0.763446 Li\n0.377223 0.377222 0.377222 Mn\n0.986494 0.986492 0.986491 Mn\n0.367361 0.876097 0.367360 Mn\n0.367362 0.367360 0.876096 Mn\n0.876098 0.367360 0.367360 Mn\n0.175208 0.617592 0.617591 O\n0.617593 0.617592 0.175207 O\n0.133938 0.133937 0.576845 O\n0.121165 0.121165 0.121165 O\n0.576845 0.133937 0.133937 O\n0.133938 0.576845 0.133937 O\n0.617593 0.175207 0.617592 O\n0.635744 0.635743 0.635742 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 4.464054159381768,
"density_atomic": 0.09121208959048592,
"volume": 153.48842530475588,
"volume_molar": 6.6023493015427555,
"formula_full": "Li1 Mn5 O7 F1",
"formula_reduced": "LiMn5O7F",
"formula_anonymous": "ABC5D7",
"energy_above_hull": 3.2740450706711823,
"spacegroup": 160
},
{
"id": "jvasp-115340",
"created_at": "2022-09-04T14:38:46.480216Z",
"updated_at": "2022-09-04T14:38:46.480246Z",
"structure_string": "Sn1 Te1 O1\n1.0\n3.414970 -0.610421 0.000000\n-2.097894 6.891745 0.000000\n0.000000 0.000000 3.066868\nSn Te O\n1 1 1\ndirect\n-0.050883 0.249393 0.000000 Sn\n0.802881 0.711024 0.000000 Te\n0.248003 0.039585 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sn",
"Te",
"O"
],
"chemical_system": "O-Sn-Te",
"density": 6.381899351202463,
"density_atomic": 0.043954996910948015,
"volume": 68.25162577255875,
"volume_molar": 13.700696583373086,
"formula_full": "Sn1 Te1 O1",
"formula_reduced": "SnTeO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9312709888888892,
"spacegroup": 6
},
{
"id": "jvasp-117606",
"created_at": "2022-09-04T14:38:46.483220Z",
"updated_at": "2022-09-04T14:38:46.483252Z",
"structure_string": "Ba1 Mg1 Te1\n1.0\n3.595406 0.000000 0.000000\n0.000000 3.595406 -0.000000\n-0.000000 0.000000 9.610380\nBa Mg Te\n1 1 1\ndirect\n0.000000 0.000000 0.336127 Ba\n0.000000 0.000000 0.702781 Mg\n0.000000 0.000000 -0.006658 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Te"
],
"chemical_system": "Ba-Mg-Te",
"density": 3.8659746345402977,
"density_atomic": 0.024148202928967195,
"volume": 124.23284700830979,
"volume_molar": 24.938256389986215,
"formula_full": "Ba1 Mg1 Te1",
"formula_reduced": "BaMgTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2368766666666666,
"spacegroup": 99
},
{
"id": "jvasp-111303",
"created_at": "2022-09-04T14:38:46.485961Z",
"updated_at": "2022-09-04T14:38:46.485988Z",
"structure_string": "Th1 Ti3\n1.0\n4.188277 -0.000000 2.418103\n1.396092 3.948745 2.418103\n-0.000000 -0.000000 4.836205\nTh Ti\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750001 0.749999 Ti\n0.500000 0.500001 0.500000 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Ti"
],
"chemical_system": "Th-Ti",
"density": 7.798671999755364,
"density_atomic": 0.05001045475923349,
"volume": 79.98327588215892,
"volume_molar": 12.041763645206855,
"formula_full": "Th1 Ti3",
"formula_reduced": "ThTi3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.74294265,
"spacegroup": 225
},
{
"id": "jvasp-115343",
"created_at": "2022-09-04T14:38:46.485964Z",
"updated_at": "2022-09-04T14:38:46.485998Z",
"structure_string": "Ti1 Sn1 O2\n1.0\n2.938763 0.000000 -0.000000\n0.000000 2.938763 0.000000\n0.000000 0.000000 6.769918\nTi Sn O\n1 1 2\ndirect\n0.500000 0.500000 0.571125 Ti\n0.000000 0.000000 0.102620 Sn\n0.000000 0.000000 0.512501 O\n0.500000 0.500000 0.823754 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Sn",
"O"
],
"chemical_system": "O-Sn-Ti",
"density": 5.639789353649866,
"density_atomic": 0.06841438958053501,
"volume": 58.467232179150564,
"volume_molar": 8.802447550761155,
"formula_full": "Ti1 Sn1 O2",
"formula_reduced": "TiSnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.761651758333333,
"spacegroup": 99
},
{
"id": "jvasp-113125",
"created_at": "2022-09-04T14:38:46.486192Z",
"updated_at": "2022-09-04T14:38:46.486218Z",
"structure_string": "Pr4 Mg2 Se8\n1.0\n7.204566 0.025408 -2.775685\n-3.386168 6.359268 -2.775685\n-0.015196 -0.025408 7.720749\nPr Mg Se\n4 2 8\ndirect\n0.875000 0.748692 0.373693 Pr\n0.498692 0.125000 0.873692 Pr\n0.375000 0.501308 0.626309 Pr\n0.251308 0.625000 0.126309 Pr\n0.000000 0.000000 0.000000 Mg\n0.750000 0.250000 0.500001 Mg\n0.504270 0.374919 0.266995 Se\n0.762725 0.495730 0.870649 Se\n0.107923 0.237275 0.733005 Se\n0.625082 0.892077 0.129352 Se\n0.245730 0.012725 0.370649 Se\n0.987275 0.357924 0.233007 Se\n0.642076 0.875082 0.629352 Se\n0.124918 0.754270 0.766995 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Pr",
"Mg",
"Se"
],
"chemical_system": "Mg-Pr-Se",
"density": 5.845168789017001,
"density_atomic": 0.039617159580617206,
"volume": 353.38222498034753,
"volume_molar": 15.200839292240293,
"formula_full": "Pr4 Mg2 Se8",
"formula_reduced": "Pr2MgSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.0698874595238097,
"spacegroup": 122
},
{
"id": "jvasp-113065",
"created_at": "2022-09-04T14:38:46.489454Z",
"updated_at": "2022-09-04T14:38:46.489471Z",
"structure_string": "Pr5 S8\n1.0\n7.267070 -0.000000 4.195645\n2.422357 6.851459 4.195645\n-0.000000 -0.000000 8.391289\nPr S\n5 8\ndirect\n0.613014 0.128996 0.128995 Pr\n0.128996 0.613014 0.128995 Pr\n0.128996 0.128996 0.613013 Pr\n0.128996 0.128996 0.128995 Pr\n0.750000 0.750000 0.749999 Pr\n0.349329 0.883557 0.883556 S\n0.883557 0.349329 0.883556 S\n0.883558 0.883557 0.349327 S\n0.883558 0.883557 0.883556 S\n0.903179 0.365607 0.365606 S\n0.365607 0.903179 0.365606 S\n0.365607 0.365607 0.903179 S\n0.365607 0.365607 0.365607 S\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Pr",
"S"
],
"chemical_system": "Pr-S",
"density": 3.819686530670864,
"density_atomic": 0.03111517636016632,
"volume": 417.80254913298876,
"volume_molar": 19.3543520058898,
"formula_full": "Pr5 S8",
"formula_reduced": "Pr5S8",
"formula_anonymous": "A5B8",
"energy_above_hull": 2.087370711538462,
"spacegroup": 216
},
{
"id": "jvasp-113067",
"created_at": "2022-09-04T14:38:46.492394Z",
"updated_at": "2022-09-04T14:38:46.492422Z",
"structure_string": "Pr4 U2 Te10\n1.0\n9.889750 0.018745 0.128928\n7.901108 5.948109 0.128928\n-0.017073 -0.005726 8.953247\nPr U Te\n4 2 10\ndirect\n0.249575 0.252360 0.267761 Pr\n0.580707 0.595717 0.259545 Pr\n0.747641 0.750424 0.732240 Pr\n0.404284 0.419293 0.740455 Pr\n0.933521 0.901745 0.262581 U\n0.098255 0.066480 0.737420 U\n0.244630 0.247761 0.636491 Te\n0.913948 0.921960 0.628933 Te\n0.592557 0.573123 0.636101 Te\n0.752239 0.755370 0.363510 Te\n0.426877 0.407444 0.363900 Te\n0.078039 0.086053 0.371068 Te\n0.420030 0.944746 0.997511 Te\n0.055254 0.579971 0.002490 Te\n0.753090 0.246910 0.000000 Te\n0.249374 0.750626 0.000000 Te\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Pr",
"U",
"Te"
],
"chemical_system": "Pr-Te-U",
"density": 7.3192610318470095,
"density_atomic": 0.03045495746492376,
"volume": 525.3660268095224,
"volume_molar": 19.773926024805487,
"formula_full": "Pr4 U2 Te10",
"formula_reduced": "Pr2UTe5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.8781955666666668,
"spacegroup": 5
}
]
}