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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=406",
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"results": [
{
"id": "jvasp-1984",
"created_at": "2022-09-04T14:36:00.184863Z",
"updated_at": "2022-09-04T14:36:00.184891Z",
"structure_string": "Hg2 Br2\n1.0\n4.362957 0.000000 -1.686279\n-0.651746 4.314003 -1.686279\n0.030526 0.035484 6.566321\nHg Br\n2 2\ndirect\n0.884542 0.884540 0.769083 Hg\n0.115459 0.115458 0.230916 Hg\n0.654194 0.654194 0.308389 Br\n0.345806 0.345805 0.691610 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Br"
],
"chemical_system": "Br-Hg",
"density": 7.5056499833140204,
"density_atomic": 0.032228910928881804,
"volume": 124.11216776225028,
"volume_molar": 18.685523607325134,
"formula_full": "Hg2 Br2",
"formula_reduced": "HgBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-121115",
"created_at": "2022-09-04T14:38:52.542627Z",
"updated_at": "2022-09-04T14:38:52.542663Z",
"structure_string": "Hg1 Br3\n1.0\n4.037225 -0.326476 0.570968\n1.632090 -5.831809 -0.268543\n-1.416079 -1.752822 -5.609347\nHg Br\n1 3\ndirect\n-0.181088 0.022035 -0.098547 Hg\n0.318229 0.522649 0.400843 Br\n0.318564 0.827181 0.705373 Br\n0.317817 0.218289 0.096126 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Br"
],
"chemical_system": "Br-Hg",
"density": 6.05717186512502,
"density_atomic": 0.03313829289160651,
"volume": 120.70627817443024,
"volume_molar": 18.17275494455337,
"formula_full": "Hg1 Br3",
"formula_reduced": "HgBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-100980",
"created_at": "2022-09-04T14:37:14.201020Z",
"updated_at": "2022-09-04T14:37:14.201042Z",
"structure_string": "Hg2 Br6\n1.0\n8.616844 -0.000000 0.000000\n-4.308422 7.462406 0.000000\n-0.000000 -0.000000 3.871732\nHg Br\n2 6\ndirect\n0.333334 0.666667 0.750000 Hg\n0.666667 0.333334 0.250000 Hg\n0.192052 0.384103 0.250000 Br\n0.615898 0.807949 0.250000 Br\n0.192052 0.807949 0.250000 Br\n0.807948 0.615898 0.750000 Br\n0.384102 0.192052 0.750000 Br\n0.807948 0.192052 0.750000 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hg",
"Br"
],
"chemical_system": "Br-Hg",
"density": 5.873505222379007,
"density_atomic": 0.03213346767989695,
"volume": 248.96161471564076,
"volume_molar": 18.74102359568095,
"formula_full": "Hg2 Br6",
"formula_reduced": "HgBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0317699999999999,
"spacegroup": 194
},
{
"id": "jvasp-29673",
"created_at": "2022-09-04T14:36:42.512925Z",
"updated_at": "2022-09-04T14:36:42.512952Z",
"structure_string": "Hg3 Br6\n1.0\n7.098200 0.000001 0.000000\n-3.549101 6.147222 0.000000\n0.000000 -0.000000 6.194502\nHg Br\n3 6\ndirect\n0.333333 0.666667 0.478699 Hg\n0.000000 0.000000 0.477472 Hg\n0.666667 0.333333 0.476869 Hg\n0.000388 0.333596 0.218298 Br\n0.999622 0.666532 0.737055 Br\n0.333468 0.333089 0.737055 Br\n0.333208 0.999612 0.218298 Br\n0.666911 0.000378 0.737055 Br\n0.666404 0.666792 0.218298 Br\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Hg",
"Br"
],
"chemical_system": "Br-Hg",
"density": 6.642310332136105,
"density_atomic": 0.03329729449570983,
"volume": 270.2922305342135,
"volume_molar": 18.085976206793376,
"formula_full": "Hg3 Br6",
"formula_reduced": "HgBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0040033333333333,
"spacegroup": 164
},
{
"id": "jvasp-39245",
"created_at": "2022-09-04T14:37:47.401189Z",
"updated_at": "2022-09-04T14:37:47.401216Z",
"structure_string": "Hg3 C1\n1.0\n4.294985 0.000000 0.000000\n0.000000 4.294985 0.000000\n-0.000000 -0.000000 4.294985\nHg C\n3 1\ndirect\n0.000000 0.500001 0.500001 Hg\n0.500001 0.000000 0.500001 Hg\n0.500001 0.500001 0.000000 Hg\n0.000000 0.000000 0.000000 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"C"
],
"chemical_system": "C-Hg",
"density": 12.864039690189024,
"density_atomic": 0.05048647361073213,
"volume": 79.2291422617741,
"volume_molar": 11.92822617486171,
"formula_full": "Hg3 C1",
"formula_reduced": "Hg3C",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6604534499999999,
"spacegroup": 221
},
{
"id": "jvasp-118541",
"created_at": "2022-09-04T14:38:53.212732Z",
"updated_at": "2022-09-04T14:38:53.212763Z",
"structure_string": "Hg1 C3\n1.0\n3.341888 0.926381 0.217297\n-0.855773 -3.319315 -0.025150\n-1.005046 -1.459495 -5.969163\nHg C\n1 3\ndirect\n0.897452 0.793881 0.068494 Hg\n0.772922 0.910527 0.709348 C\n0.700708 -0.018766 0.495231 C\n0.624493 0.054529 0.271074 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"C"
],
"chemical_system": "C-Hg",
"density": 6.448752052284547,
"density_atomic": 0.0656494766948938,
"volume": 60.929655518657306,
"volume_molar": 9.173174049791628,
"formula_full": "Hg1 C3",
"formula_reduced": "HgC3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.47195615,
"spacegroup": 160
},
{
"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-118540",
"created_at": "2022-09-04T14:38:45.397267Z",
"updated_at": "2022-09-04T14:38:45.397285Z",
"structure_string": "Hg2 C2\n1.0\n4.051504 -0.771482 -0.764329\n-1.414175 -3.807544 0.510302\n1.417228 -5.469637 -6.323048\nHg C\n2 2\ndirect\n0.120357 0.086948 0.030009 Hg\n0.439847 0.778386 0.527190 Hg\n0.055157 0.392821 0.528251 C\n0.824664 0.165177 0.525614 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"C"
],
"chemical_system": "C-Hg",
"density": 6.714595167605642,
"density_atomic": 0.03803960876865491,
"volume": 105.15355255956383,
"volume_molar": 15.831237373193794,
"formula_full": "Hg2 C2",
"formula_reduced": "HgC",
"formula_anonymous": "AB",
"energy_above_hull": 1.9628073,
"spacegroup": 1
},
{
"id": "jvasp-118539",
"created_at": "2022-09-04T14:38:45.365444Z",
"updated_at": "2022-09-04T14:38:45.365464Z",
"structure_string": "Hg1 C2\n1.0\n4.172599 0.167629 -0.500800\n-0.729122 -4.173056 -0.033143\n1.008747 -2.172407 -3.485069\nHg C\n1 2\ndirect\n0.875940 0.012546 0.025027 Hg\n0.260229 0.396563 0.025162 C\n0.491638 0.628424 0.025024 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Hg",
"C"
],
"chemical_system": "C-Hg",
"density": 6.537663254507498,
"density_atomic": 0.05258512485171661,
"volume": 57.050354229634706,
"volume_molar": 11.452175452624052,
"formula_full": "Hg1 C2",
"formula_reduced": "HgC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.471268199999999,
"spacegroup": 71
},
{
"id": "jvasp-1939",
"created_at": "2022-09-04T14:36:34.798601Z",
"updated_at": "2022-09-04T14:36:34.798611Z",
"structure_string": "Hg2 Cl2\n1.0\n4.209515 -0.000000 -1.598455\n-0.606972 4.165525 -1.598455\n0.015768 0.018231 6.383609\nHg Cl\n2 2\ndirect\n0.882737 0.882738 0.765477 Hg\n0.117263 0.117263 0.234524 Hg\n0.659043 0.659044 0.318086 Cl\n0.340957 0.340957 0.681915 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Cl"
],
"chemical_system": "Cl-Hg",
"density": 6.987973592890621,
"density_atomic": 0.03565669019466206,
"volume": 112.18091130058994,
"volume_molar": 16.889230960930682,
"formula_full": "Hg2 Cl2",
"formula_reduced": "HgCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.124196,
"spacegroup": 139
},
{
"id": "jvasp-4180",
"created_at": "2022-09-04T14:37:36.866961Z",
"updated_at": "2022-09-04T14:37:36.866982Z",
"structure_string": "Hg4 Cl8\n1.0\n4.320950 0.000000 0.000000\n0.000000 6.022414 0.000000\n0.000000 0.000000 12.674642\nHg Cl\n4 8\ndirect\n0.533283 0.750000 0.625963 Hg\n0.033283 0.250000 0.874037 Hg\n0.466717 0.250000 0.374037 Hg\n0.966717 0.750000 0.125963 Hg\n0.300005 0.750000 0.981765 Cl\n0.800005 0.250000 0.518235 Cl\n0.699995 0.250000 0.018235 Cl\n0.199995 0.750000 0.481765 Cl\n0.635639 0.750000 0.270907 Cl\n0.135639 0.250000 0.229093 Cl\n0.364361 0.250000 0.729093 Cl\n0.864361 0.750000 0.770907 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Hg",
"Cl"
],
"chemical_system": "Cl-Hg",
"density": 5.467477128450219,
"density_atomic": 0.03638276462377307,
"volume": 329.8265023037587,
"volume_molar": 16.552180193764162,
"formula_full": "Hg4 Cl8",
"formula_reduced": "HgCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-116166",
"created_at": "2022-09-04T14:38:40.997363Z",
"updated_at": "2022-09-04T14:38:40.997384Z",
"structure_string": "Hg2 Cl1\n1.0\n4.191599 0.401649 -0.539640\n-1.853724 -3.730602 -0.455099\n-0.782925 1.042506 -5.183627\nHg Cl\n2 1\ndirect\n0.851014 0.252684 0.112496 Hg\n0.187901 -0.075050 0.418225 Hg\n0.519529 0.588740 0.765381 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Hg",
"Cl"
],
"chemical_system": "Cl-Hg",
"density": 8.847559289401,
"density_atomic": 0.03660825964251299,
"volume": 81.94871947739671,
"volume_molar": 16.45022412648789,
"formula_full": "Hg2 Cl1",
"formula_reduced": "Hg2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0933386666666666,
"spacegroup": 164
}
]
}