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=3374",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=3372",
"results": [
{
"id": "jvasp-12334",
"created_at": "2022-09-04T14:37:06.600314Z",
"updated_at": "2022-09-04T14:37:06.600341Z",
"structure_string": "Pb2 Se2 O6\n1.0\n0.000000 4.535888 -0.011069\n5.575099 0.000000 0.000000\n0.000000 -1.918057 -6.357515\nPb Se O\n2 2 6\ndirect\n0.641107 0.250000 0.304018 Pb\n0.358893 0.750000 0.695982 Pb\n0.083726 0.750000 0.157751 Se\n0.916274 0.250000 0.842249 Se\n0.803220 0.012489 0.666827 O\n0.196779 0.512489 0.333173 O\n0.196779 0.987511 0.333173 O\n0.803220 0.487511 0.666827 O\n0.307660 0.250000 0.884299 O\n0.692339 0.750000 0.115700 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pb",
"Se",
"O"
],
"chemical_system": "O-Pb-Se",
"density": 6.897779199953634,
"density_atomic": 0.06215528645994039,
"volume": 160.88736082722562,
"volume_molar": 9.688863334064628,
"formula_full": "Pb2 Se2 O6",
"formula_reduced": "PbSeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6631689373333334,
"spacegroup": 11
},
{
"id": "jvasp-123339",
"created_at": "2022-09-04T14:38:54.621203Z",
"updated_at": "2022-09-04T14:38:54.621229Z",
"structure_string": "Ag3 Ir1\n1.0\n4.056924 0.000000 0.000000\n0.000000 4.056924 0.000000\n-0.000000 0.000000 4.056924\nAg Ir\n3 1\ndirect\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"Ir"
],
"chemical_system": "Ag-Ir",
"density": 12.827972073720431,
"density_atomic": 0.05990586940910589,
"volume": 66.77142055452728,
"volume_molar": 10.052672333113014,
"formula_full": "Ag3 Ir1",
"formula_reduced": "Ag3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 1.04415322,
"spacegroup": 221
},
{
"id": "jvasp-123338",
"created_at": "2022-09-04T14:38:53.046307Z",
"updated_at": "2022-09-04T14:38:53.046332Z",
"structure_string": "In1 Ag3\n1.0\n4.222109 0.000000 0.000000\n0.000000 4.222109 -0.000000\n0.000000 0.000000 4.222109\nIn Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"Ag"
],
"chemical_system": "Ag-In",
"density": 9.672833394108332,
"density_atomic": 0.05314613276549091,
"volume": 75.26417806635402,
"volume_molar": 11.331286862532213,
"formula_full": "In1 Ag3",
"formula_reduced": "InAg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-123337",
"created_at": "2022-09-04T14:38:54.048119Z",
"updated_at": "2022-09-04T14:38:54.048145Z",
"structure_string": "Ag3 I1\n1.0\n4.443735 -0.000000 0.000000\n0.000000 4.443735 0.000000\n0.000000 -0.000000 4.443735\nAg I\n3 1\ndirect\n0.000000 0.499999 0.499999 Ag\n0.499999 0.000000 0.499999 Ag\n0.499999 0.499999 0.000000 Ag\n0.000000 0.000000 0.000000 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"I"
],
"chemical_system": "Ag-I",
"density": 8.525270743981126,
"density_atomic": 0.04558432570967453,
"volume": 87.7494607571011,
"volume_molar": 13.210990107333975,
"formula_full": "Ag3 I1",
"formula_reduced": "Ag3I",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-123336",
"created_at": "2022-09-04T14:38:50.220544Z",
"updated_at": "2022-09-04T14:38:50.220569Z",
"structure_string": "Ho1 Ag3\n1.0\n4.359893 0.000000 0.000000\n0.000000 4.359893 0.000000\n-0.000000 0.000000 4.359893\nHo Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Ho\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ho",
"Ag"
],
"chemical_system": "Ag-Ho",
"density": 9.788524148947126,
"density_atomic": 0.04826502087342287,
"volume": 82.87575406815166,
"volume_molar": 12.477236414738798,
"formula_full": "Ho1 Ag3",
"formula_reduced": "HoAg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1125843366666666,
"spacegroup": 221
},
{
"id": "jvasp-123335",
"created_at": "2022-09-04T14:38:53.946191Z",
"updated_at": "2022-09-04T14:38:53.946212Z",
"structure_string": "Ag3 Hg1\n1.0\n4.213178 -0.000000 0.000000\n-0.000000 4.213178 -0.000000\n0.000000 -0.000000 4.213178\nAg Hg\n3 1\ndirect\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg",
"density": 11.638907507392593,
"density_atomic": 0.05348482363333078,
"volume": 74.78757016050572,
"volume_molar": 11.259531865123531,
"formula_full": "Ag3 Hg1",
"formula_reduced": "Ag3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-123334",
"created_at": "2022-09-04T14:38:54.415643Z",
"updated_at": "2022-09-04T14:38:54.415666Z",
"structure_string": "Hf1 Ag3\n1.0\n4.224151 0.000000 0.000000\n-0.000000 4.224151 0.000000\n0.000000 -0.000000 4.224151\nHf Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Ag"
],
"chemical_system": "Ag-Hf",
"density": 11.061559116573045,
"density_atomic": 0.05306909578241597,
"volume": 75.37343421866571,
"volume_molar": 11.347735760735137,
"formula_full": "Hf1 Ag3",
"formula_reduced": "HfAg3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.2160136950000002,
"spacegroup": 221
},
{
"id": "jvasp-12332",
"created_at": "2022-09-04T14:36:48.140872Z",
"updated_at": "2022-09-04T14:36:48.140897Z",
"structure_string": "Zr4 Ni4 Sb4\n1.0\n4.178514 0.000000 0.000000\n0.000000 6.783137 0.000000\n0.000000 0.000000 7.677549\nZr Ni Sb\n4 4 4\ndirect\n0.749999 0.998696 0.806675 Zr\n0.250000 0.001304 0.193325 Zr\n0.749999 0.498696 0.693325 Zr\n0.250000 0.501304 0.306675 Zr\n0.250000 0.681267 0.911798 Ni\n0.749999 0.318733 0.088202 Ni\n0.250000 0.181267 0.588202 Ni\n0.749999 0.818733 0.411798 Ni\n0.250000 0.791853 0.593339 Sb\n0.749999 0.208148 0.406661 Sb\n0.250000 0.291852 0.906662 Sb\n0.749999 0.708148 0.093339 Sb\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"Sb"
],
"chemical_system": "Ni-Sb-Zr",
"density": 8.292539596732162,
"density_atomic": 0.05514500734325253,
"volume": 217.6080950593672,
"volume_molar": 10.920554824691415,
"formula_full": "Zr4 Ni4 Sb4",
"formula_reduced": "ZrNiSb",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8552343333333337,
"spacegroup": 62
},
{
"id": "jvasp-12331",
"created_at": "2022-09-04T14:38:15.527761Z",
"updated_at": "2022-09-04T14:38:15.527789Z",
"structure_string": "K4 Pb4 O6\n1.0\n6.888546 -0.000000 -2.435469\n-3.444272 5.965656 -2.435469\n0.000000 -0.000000 7.306406\nK Pb O\n4 4 6\ndirect\n0.446387 0.500000 0.000000 K\n0.053613 0.053613 0.053613 K\n0.000000 0.446387 0.500000 K\n0.500000 0.000000 0.446387 K\n0.500000 0.000000 0.978738 Pb\n0.000001 0.978739 0.500001 Pb\n0.521263 0.521262 0.521263 Pb\n0.978739 0.500000 0.000000 Pb\n0.750001 0.956319 0.206319 O\n0.250001 0.543682 0.293682 O\n0.956320 0.206319 0.750000 O\n0.206319 0.750001 0.956320 O\n0.293682 0.250000 0.543682 O\n0.543682 0.293681 0.250000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"Pb",
"O"
],
"chemical_system": "K-O-Pb",
"density": 5.979452028633804,
"density_atomic": 0.046627106397584675,
"volume": 300.25453178722694,
"volume_molar": 12.915536101789822,
"formula_full": "K4 Pb4 O6",
"formula_reduced": "K2Pb2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.753121162857143,
"spacegroup": 199
},
{
"id": "jvasp-12330",
"created_at": "2022-09-04T14:38:16.467696Z",
"updated_at": "2022-09-04T14:38:16.467744Z",
"structure_string": "Mn4 Ge4 N8\n1.0\n5.312905 0.000000 0.000000\n0.000000 5.554959 0.000000\n0.000000 0.000000 6.681230\nMn Ge N\n4 4 8\ndirect\n0.998426 0.581239 0.875757 Mn\n0.498426 0.918761 0.375757 Mn\n0.498426 0.418761 0.124243 Mn\n0.998426 0.081239 0.624243 Mn\n0.000825 0.072430 0.125481 Ge\n0.500825 0.927570 0.874519 Ge\n0.500825 0.427570 0.625481 Ge\n0.000825 0.572430 0.374519 Ge\n0.397218 0.601897 0.855591 N\n0.897219 0.398103 0.144409 N\n0.897219 0.898103 0.355591 N\n0.397218 0.101897 0.644409 N\n0.356532 0.561760 0.393439 N\n0.356532 0.061760 0.106561 N\n0.856533 0.938240 0.893439 N\n0.856533 0.438240 0.606561 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mn",
"Ge",
"N"
],
"chemical_system": "Ge-Mn-N",
"density": 5.241136519768572,
"density_atomic": 0.08114292370079941,
"volume": 197.18293685099704,
"volume_molar": 7.421646257418096,
"formula_full": "Mn4 Ge4 N8",
"formula_reduced": "MnGeN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.811119922844827,
"spacegroup": 33
},
{
"id": "jvasp-12329",
"created_at": "2022-09-04T14:38:02.908727Z",
"updated_at": "2022-09-04T14:38:02.908753Z",
"structure_string": "Cu6 Se4\n1.0\n6.404545 0.000000 0.000000\n0.000000 6.404545 0.000000\n0.000000 -0.000000 4.375375\nCu Se\n6 4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.145251 0.645251 0.759629 Cu\n0.354749 0.145251 0.240372 Cu\n0.645251 0.854748 0.240372 Cu\n0.854748 0.354749 0.759629 Cu\n0.268817 0.768817 0.265376 Se\n0.231182 0.268817 0.734625 Se\n0.768817 0.731182 0.734625 Se\n0.731182 0.231182 0.265376 Se\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Cu",
"Se"
],
"chemical_system": "Cu-Se",
"density": 6.450038459205645,
"density_atomic": 0.055719621300003505,
"volume": 179.46999219823073,
"volume_molar": 10.807935552138474,
"formula_full": "Cu6 Se4",
"formula_reduced": "Cu3Se2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.2964356166666667,
"spacegroup": 113
},
{
"id": "jvasp-12326",
"created_at": "2022-09-04T14:38:10.814778Z",
"updated_at": "2022-09-04T14:38:10.814804Z",
"structure_string": "Pb4 F12\n1.0\n5.369683 0.000000 0.000000\n0.000000 5.369683 -0.000000\n0.000000 0.000000 9.010591\nPb F\n4 12\ndirect\n0.500000 0.500000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n0.000000 0.000000 0.750000 Pb\n0.000000 0.000000 0.250000 Pb\n0.203413 0.204251 0.592177 F\n0.796586 0.795748 0.592177 F\n0.204251 0.796586 0.407823 F\n0.795748 0.203413 0.407823 F\n0.282609 0.282609 0.250000 F\n0.282609 0.717390 0.750000 F\n0.717390 0.282609 0.750000 F\n0.717390 0.717390 0.250000 F\n0.796586 0.204251 0.092177 F\n0.204251 0.203413 0.907823 F\n0.795748 0.796586 0.907823 F\n0.203413 0.795748 0.092177 F\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Pb",
"F"
],
"chemical_system": "F-Pb",
"density": 6.7543483427105855,
"density_atomic": 0.061584215001500915,
"volume": 259.8068352354585,
"volume_molar": 9.778708326237869,
"formula_full": "Pb4 F12",
"formula_reduced": "PbF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0412175706249999,
"spacegroup": 132
}
]
}