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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=1548",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=1546",
"results": [
{
"id": "jvasp-76700",
"created_at": "2022-09-04T14:37:09.889824Z",
"updated_at": "2022-09-04T14:37:09.889842Z",
"structure_string": "Hg1 Bi1 Pb2\n1.0\n-11.144721 0.001522 -6.436477\n-7.248221 0.346260 -0.314390\n-6.293752 3.046991 -1.968313\nHg Bi Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 -0.000000 -0.000000 Bi\n0.754235 0.000123 -0.000074 Pb\n0.245766 -0.000124 0.000073 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hg",
"Bi",
"Pb"
],
"chemical_system": "Bi-Hg-Pb",
"density": 10.943657295420412,
"density_atomic": 0.03199350106994025,
"volume": 125.02539160236616,
"volume_molar": 18.823012670089273,
"formula_full": "Hg1 Bi1 Pb2",
"formula_reduced": "HgBiPb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0042375,
"spacegroup": 71
},
{
"id": "jvasp-29402",
"created_at": "2022-09-04T14:37:58.966544Z",
"updated_at": "2022-09-04T14:37:58.966575Z",
"structure_string": "Hg2 Bi4 S8\n1.0\n4.030797 -0.000732 0.663312\n1.979477 7.195632 0.541700\n0.000234 -0.090638 12.565539\nHg Bi S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Hg\n-0.000000 0.500000 0.500000 Hg\n0.349022 0.442142 0.859490 Bi\n0.779113 0.075532 0.366155 Bi\n0.650978 0.557858 0.140509 Bi\n0.220888 0.924468 0.633845 Bi\n-0.001871 0.834352 0.170034 S\n0.691206 0.681076 0.936681 S\n0.156305 0.361209 0.326350 S\n0.308795 0.318924 0.063319 S\n0.001871 0.165647 0.829966 S\n0.374681 0.825608 0.424493 S\n0.843695 0.638791 0.673650 S\n0.625320 0.174392 0.575507 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Hg",
"Bi",
"S"
],
"chemical_system": "Bi-Hg-S",
"density": 6.803530275772945,
"density_atomic": 0.03840366515836367,
"volume": 364.5485383300983,
"volume_molar": 15.681161511972196,
"formula_full": "Hg2 Bi4 S8",
"formula_reduced": "Hg(BiS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2065904571428572,
"spacegroup": 12
},
{
"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-3648",
"created_at": "2022-09-04T14:35:49.009044Z",
"updated_at": "2022-09-04T14:35:49.009071Z",
"structure_string": "Hg2 Br4\n1.0\n4.149853 -0.121358 0.000000\n-1.632661 3.817122 0.000000\n0.000000 0.000000 12.469954\nHg Br\n2 4\ndirect\n0.660966 0.339033 0.500213 Hg\n0.339034 0.660966 0.000213 Hg\n0.607454 0.392545 0.134364 Br\n0.392545 0.607454 0.634364 Br\n0.071343 0.928656 0.865422 Br\n0.928656 0.071343 0.365422 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hg",
"Br"
],
"chemical_system": "Br-Hg",
"density": 6.136127471758814,
"density_atomic": 0.03075984608877231,
"volume": 195.05949355806652,
"volume_molar": 19.577928779683162,
"formula_full": "Hg2 Br4",
"formula_reduced": "HgBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 36
},
{
"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-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-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-78827",
"created_at": "2022-09-04T14:37:11.019256Z",
"updated_at": "2022-09-04T14:37:11.019269Z",
"structure_string": "Hg1 Br1 N1\n1.0\n0.000000 0.000000 -4.002158\n0.000000 -4.449261 0.000000\n-3.750226 0.000000 0.000000\nHg Br N\n1 1 1\ndirect\n0.000000 0.000000 0.002861 Hg\n0.500000 0.500000 0.634936 Br\n0.500000 0.000000 0.822206 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Hg",
"Br",
"N"
],
"chemical_system": "Br-Hg-N",
"density": 7.323115360427421,
"density_atomic": 0.04492433958641086,
"volume": 66.77894494652668,
"volume_molar": 13.405073542409145,
"formula_full": "Hg1 Br1 N1",
"formula_reduced": "HgBrN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3527639849999995,
"spacegroup": 25
},
{
"id": "jvasp-12089",
"created_at": "2022-09-04T14:36:58.885069Z",
"updated_at": "2022-09-04T14:36:58.885092Z",
"structure_string": "Hg4 Br4 O12\n1.0\n4.429891 -0.000000 -1.052941\n-0.605617 8.149164 -2.547927\n-0.035961 -0.081776 9.693804\nHg Br O\n4 4 12\ndirect\n0.900604 0.017889 0.870799 Hg\n0.099395 0.982109 0.129200 Hg\n0.970194 0.517889 0.870799 Hg\n0.029806 0.482110 0.129201 Hg\n0.278326 0.662837 0.647113 Br\n0.631212 0.837161 0.352886 Br\n0.721673 0.337161 0.352886 Br\n0.368787 0.162838 0.647113 Br\n0.686936 0.047371 0.653135 O\n0.033800 0.452628 0.346864 O\n0.340309 0.215609 0.824883 O\n0.122695 0.834186 0.628822 O\n0.493873 0.665813 0.371177 O\n0.877304 0.165813 0.371177 O\n0.506126 0.334186 0.628822 O\n0.484574 0.715609 0.824883 O\n0.659691 0.784390 0.175116 O\n0.515425 0.284390 0.175116 O\n0.966199 0.547371 0.653135 O\n0.313063 0.952628 0.346864 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hg",
"Br",
"O"
],
"chemical_system": "Br-Hg-O",
"density": 6.257918333119993,
"density_atomic": 0.0573621916740438,
"volume": 348.6617128168402,
"volume_molar": 10.498449561028538,
"formula_full": "Hg4 Br4 O12",
"formula_reduced": "HgBrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.176487841,
"spacegroup": 15
},
{
"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-86297",
"created_at": "2022-09-04T14:35:59.077028Z",
"updated_at": "2022-09-04T14:35:59.077059Z",
"structure_string": "Hg2 C4 Se4 N4\n1.0\n4.249415 0.000036 -0.000045\n0.000036 6.165178 -0.229561\n-0.000142 -0.002242 11.542277\nHg C Se N\n2 4 4 4\ndirect\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.214667 0.449073 0.628488 C\n0.785333 0.550928 0.371512 C\n0.644723 0.837252 0.842996 C\n0.855291 0.837260 0.342992 C\n0.355277 0.162749 0.157004 Se\n0.144710 0.162741 0.657008 Se\n0.285329 0.449090 0.128488 Se\n0.714671 0.550912 0.871512 Se\n0.749942 0.364706 0.883148 N\n0.250058 0.635295 0.116852 N\n0.750060 0.364724 0.383150 N\n0.249940 0.635278 0.616850 N\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Hg",
"C",
"Se",
"N"
],
"chemical_system": "C-Hg-N-Se",
"density": 4.508961538784856,
"density_atomic": 0.04629828645780099,
"volume": 302.38700114226543,
"volume_molar": 13.007264891950024,
"formula_full": "Hg2 C4 Se4 N4",
"formula_reduced": "HgC2(SeN)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 3.8878439761904753,
"spacegroup": 1
}
]
}