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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=1557",
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{
"id": "jvasp-88170",
"created_at": "2022-09-04T14:36:13.065821Z",
"updated_at": "2022-09-04T14:36:13.065851Z",
"structure_string": "Hg4 N24\n1.0\n6.264121 0.000000 0.000000\n0.000000 6.283415 0.000000\n0.000000 0.000000 10.631395\nHg N\n4 24\ndirect\n0.762603 0.765372 0.964840 Hg\n0.237397 0.265372 0.035160 Hg\n0.237397 0.765372 0.464840 Hg\n0.762603 0.265372 0.535160 Hg\n0.947448 0.618912 0.417440 N\n0.608822 0.270433 0.882117 N\n0.881758 0.119101 0.190006 N\n0.804302 0.605621 0.211646 N\n0.118242 0.619101 0.809994 N\n0.528580 0.884335 0.539080 N\n0.052552 0.118913 0.582560 N\n0.471420 0.384336 0.460919 N\n0.528580 0.384336 0.960919 N\n0.947448 0.118913 0.082560 N\n0.608822 0.770432 0.617883 N\n0.195698 0.105621 0.788354 N\n0.304737 0.167225 0.307345 N\n0.304737 0.667224 0.192655 N\n0.052552 0.618912 0.917439 N\n0.391178 0.270433 0.382117 N\n0.118242 0.119101 0.690005 N\n0.195698 0.605621 0.711646 N\n0.471420 0.884335 0.039081 N\n0.695263 0.167225 0.807345 N\n0.391178 0.770432 0.117883 N\n0.695263 0.667224 0.692655 N\n0.804302 0.105621 0.288354 N\n0.881758 0.619101 0.309994 N\n",
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"elements": [
"Hg",
"N"
],
"chemical_system": "Hg-N",
"density": 4.5179761074592655,
"density_atomic": 0.06691321460332507,
"volume": 418.4524710999106,
"volume_molar": 8.999927436905335,
"formula_full": "Hg4 N24",
"formula_reduced": "HgN6",
"formula_anonymous": "AB6",
"energy_above_hull": 4.870849157142857,
"spacegroup": 29
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{
"id": "jvasp-32367",
"created_at": "2022-09-04T14:36:34.240187Z",
"updated_at": "2022-09-04T14:36:34.240215Z",
"structure_string": "Hg4 N4 O8\n1.0\n4.334587 -0.029068 0.000000\n-2.020386 5.894183 0.000000\n0.000000 0.000000 10.825698\nHg N O\n4 4 8\ndirect\n0.844850 0.854191 0.916368 Hg\n0.155149 0.645808 0.416368 Hg\n0.155149 0.145808 0.083632 Hg\n0.844851 0.354191 0.583632 Hg\n0.313380 0.504366 0.787698 N\n0.686620 -0.004366 0.287698 N\n0.686619 0.495633 0.212303 N\n0.313381 0.004366 0.712303 N\n0.607165 0.613317 0.754773 O\n0.392834 0.886682 0.254772 O\n0.392835 0.386682 0.245228 O\n0.607165 0.113317 0.745228 O\n0.234061 0.546718 0.892842 O\n0.765938 0.953281 0.392842 O\n0.765939 0.453282 0.107158 O\n0.234061 0.046718 0.607158 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hg",
"N",
"O"
],
"chemical_system": "Hg-N-O",
"density": 5.935624804231691,
"density_atomic": 0.05798186598211801,
"volume": 275.9483457282059,
"volume_molar": 10.386248627902503,
"formula_full": "Hg4 N4 O8",
"formula_reduced": "HgNO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0351212125,
"spacegroup": 14
},
{
"id": "jvasp-2133",
"created_at": "2022-09-04T14:36:09.854304Z",
"updated_at": "2022-09-04T14:36:09.854320Z",
"structure_string": "Hg4 O4\n1.0\n3.634208 0.000000 0.000000\n0.000000 5.620619 0.000000\n0.000000 0.000000 6.731799\nHg O\n4 4\ndirect\n0.748324 0.750000 0.614159 Hg\n0.248323 0.250000 0.885841 Hg\n0.251677 0.250000 0.385841 Hg\n0.751677 0.750000 0.114159 Hg\n0.079266 0.750000 0.863002 O\n0.579266 0.250000 0.636998 O\n0.920735 0.250000 0.136998 O\n0.420734 0.750000 0.363002 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hg",
"O"
],
"chemical_system": "Hg-O",
"density": 10.462156677566615,
"density_atomic": 0.058178821481802076,
"volume": 137.50708240974498,
"volume_molar": 10.351087572105053,
"formula_full": "Hg4 O4",
"formula_reduced": "HgO",
"formula_anonymous": "AB",
"energy_above_hull": 0.1277740499999999,
"spacegroup": 62
},
{
"id": "jvasp-22590",
"created_at": "2022-09-04T14:35:50.654953Z",
"updated_at": "2022-09-04T14:35:50.654978Z",
"structure_string": "Hg4 O8\n1.0\n4.909491 -0.000000 0.000000\n0.000000 6.085760 0.000000\n0.000000 0.000000 6.148227\nHg O\n4 8\ndirect\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.415050 0.569321 0.427466 O\n0.084950 0.069321 0.572535 O\n0.084950 0.569321 0.927466 O\n0.415050 0.069321 0.072534 O\n0.584950 0.430679 0.572535 O\n0.584950 0.930679 0.927466 O\n0.915050 0.430679 0.072534 O\n0.915050 0.930679 0.427466 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Hg",
"O"
],
"chemical_system": "Hg-O",
"density": 8.41001370284759,
"density_atomic": 0.06532509690438139,
"volume": 183.6966276156439,
"volume_molar": 9.218724571989258,
"formula_full": "Hg4 O8",
"formula_reduced": "HgO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9511805333333332,
"spacegroup": 61
},
{
"id": "jvasp-59748",
"created_at": "2022-09-04T14:38:33.447237Z",
"updated_at": "2022-09-04T14:38:33.447262Z",
"structure_string": "Hg4 Os4 O14\n1.0\n6.360329 0.000000 3.672138\n2.120109 5.996575 3.672138\n-0.000000 -0.000000 7.344274\nHg Os O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Hg\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n0.500000 -0.000000 0.000000 Os\n0.000000 0.500000 0.000000 Os\n0.063781 0.686218 0.063782 O\n0.686219 0.063781 0.686219 O\n0.686219 0.063781 0.063781 O\n0.625000 0.625000 0.625000 O\n0.936219 0.313781 0.313781 O\n0.313782 0.936218 0.313782 O\n0.313781 0.313781 0.936218 O\n0.936219 0.936218 0.313782 O\n0.936219 0.313781 0.936219 O\n0.063781 0.686218 0.686219 O\n0.313782 0.936218 0.936219 O\n0.375000 0.375000 0.375000 O\n0.686219 0.686218 0.063782 O\n0.063781 0.063781 0.686218 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Hg",
"Os",
"O"
],
"chemical_system": "Hg-O-Os",
"density": 10.59517001462797,
"density_atomic": 0.0785400112091501,
"volume": 280.1120048406225,
"volume_molar": 7.667608735072864,
"formula_full": "Hg4 Os4 O14",
"formula_reduced": "Hg2Os2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.7209630636363635,
"spacegroup": 227
},
{
"id": "jvasp-98223",
"created_at": "2022-09-04T14:36:08.638299Z",
"updated_at": "2022-09-04T14:36:08.638327Z",
"structure_string": "Hg4 P2 Cl4\n1.0\n5.609505 -0.031704 2.020616\n-0.198053 5.606097 2.020616\n-0.023776 -0.024492 7.781881\nHg P Cl\n4 2 4\ndirect\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.287446 0.287447 0.430060 Hg\n0.712553 0.712554 0.569941 Hg\n0.359627 0.359627 0.086705 P\n0.640372 0.640374 0.913296 P\n0.273115 0.726886 0.500000 Cl\n0.726884 0.273116 0.500000 Cl\n0.894631 0.894632 0.216915 Cl\n0.105368 0.105369 0.783086 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Hg",
"P",
"Cl"
],
"chemical_system": "Cl-Hg-P",
"density": 6.81280364655865,
"density_atomic": 0.04077811986083252,
"volume": 245.22955040909142,
"volume_molar": 14.768068710750644,
"formula_full": "Hg4 P2 Cl4",
"formula_reduced": "Hg2PCl2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-12161",
"created_at": "2022-09-04T14:38:00.885367Z",
"updated_at": "2022-09-04T14:38:00.885390Z",
"structure_string": "Hg4 P4 Se12\n1.0\n6.547098 -0.000000 0.986293\n3.273550 5.785958 0.493147\n0.027675 0.000000 13.825192\nHg P Se\n4 4 12\ndirect\n0.768136 0.813732 0.064686 Hg\n0.231864 0.186268 0.935314 Hg\n0.581869 0.186268 0.564686 Hg\n0.418132 0.813732 0.435314 Hg\n0.529971 0.532783 0.915946 P\n0.062753 0.467218 0.415946 P\n0.470030 0.467218 0.084054 P\n0.937248 0.532783 0.584054 P\n0.171750 0.393232 0.112893 Se\n0.564983 0.606768 0.612893 Se\n0.828250 0.606768 0.887107 Se\n0.035828 0.163727 0.375961 Se\n0.964173 0.836274 0.624039 Se\n0.199555 0.836274 0.875961 Se\n0.387758 0.781722 0.159963 Se\n0.830521 0.781722 0.340037 Se\n0.612243 0.218279 0.840036 Se\n0.169480 0.218279 0.659963 Se\n0.435018 0.393232 0.387107 Se\n0.800446 0.163727 0.124039 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hg",
"P",
"Se"
],
"chemical_system": "Hg-P-Se",
"density": 5.942952300842857,
"density_atomic": 0.03820020480709226,
"volume": 523.5574024013293,
"volume_molar": 15.764681866003837,
"formula_full": "Hg4 P4 Se12",
"formula_reduced": "HgPSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.15588204,
"spacegroup": 15
},
{
"id": "jvasp-12961",
"created_at": "2022-09-04T14:36:51.880415Z",
"updated_at": "2022-09-04T14:36:51.880445Z",
"structure_string": "Hg4 P6 Cl2\n1.0\n5.949765 0.034833 -0.575766\n-0.750904 5.902292 -0.575766\n0.037260 0.042551 7.765586\nHg P Cl\n4 6 2\ndirect\n0.852518 0.587635 0.659303 Hg\n0.412364 0.147481 0.840697 Hg\n0.587636 0.852518 0.159303 Hg\n0.147482 0.412364 0.340696 Hg\n0.944127 0.822044 0.022604 P\n0.177955 0.055872 0.477395 P\n0.055873 0.177955 0.977396 P\n0.804884 0.195114 0.750000 P\n0.195115 0.804884 0.250000 P\n0.822045 0.944126 0.522604 P\n0.371020 0.628979 0.750000 Cl\n0.628980 0.371020 0.250000 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hg",
"P",
"Cl"
],
"chemical_system": "Cl-Hg-P",
"density": 6.437395369329215,
"density_atomic": 0.04392399655351262,
"volume": 273.1991836257522,
"volume_molar": 13.710366160928057,
"formula_full": "Hg4 P6 Cl2",
"formula_reduced": "Hg2P3Cl",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.0724438916666663,
"spacegroup": 15
},
{
"id": "jvasp-87088",
"created_at": "2022-09-04T14:36:19.190948Z",
"updated_at": "2022-09-04T14:36:19.190977Z",
"structure_string": "Hg4 Pd4\n1.0\n5.304728 -0.000000 0.000000\n0.000000 5.304728 0.000000\n0.000000 0.000000 5.304728\nHg Pd\n4 4\ndirect\n0.843257 0.656744 0.343257 Hg\n0.656744 0.343257 0.843257 Hg\n0.343257 0.843257 0.656744 Hg\n0.156743 0.156743 0.156743 Hg\n0.152814 0.347187 0.652814 Pd\n0.347187 0.652814 0.152814 Pd\n0.652814 0.152814 0.347187 Pd\n0.847187 0.847187 0.847187 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hg",
"Pd"
],
"chemical_system": "Hg-Pd",
"density": 13.660677836821002,
"density_atomic": 0.05359208158612288,
"volume": 149.27578409403523,
"volume_molar": 11.236997298420615,
"formula_full": "Hg4 Pd4",
"formula_reduced": "HgPd",
"formula_anonymous": "AB",
"energy_above_hull": 0.5433852333333333,
"spacegroup": 198
},
{
"id": "jvasp-19905",
"created_at": "2022-09-04T14:36:20.554540Z",
"updated_at": "2022-09-04T14:36:20.554559Z",
"structure_string": "Hg4 Pt1\n1.0\n5.190924 -0.000000 -1.835269\n-2.595461 4.495471 -1.835269\n0.000000 0.000000 5.505805\nHg Pt\n4 1\ndirect\n0.500000 0.500000 0.500000 Hg\n0.500000 0.000000 -0.000000 Hg\n0.000000 0.500000 -0.000000 Hg\n-0.000000 -0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Hg",
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],
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"density": 12.891306167729782,
"density_atomic": 0.038916099725474974,
"volume": 128.4815291170337,
"volume_molar": 15.47467706805631,
"formula_full": "Hg4 Pt1",
"formula_reduced": "Hg4Pt",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0,
"spacegroup": 229
},
{
"id": "jvasp-10130",
"created_at": "2022-09-04T14:38:12.485468Z",
"updated_at": "2022-09-04T14:38:12.485497Z",
"structure_string": "Hg4 S2 O8\n1.0\n0.000000 6.342576 0.000084\n4.452973 0.000000 0.000000\n0.000000 -0.419383 -8.509224\nHg S O\n4 2 8\ndirect\n0.190224 0.066969 0.469952 Hg\n0.809777 0.066969 0.030049 Hg\n0.809777 0.933030 0.530049 Hg\n0.190224 0.933030 0.969951 Hg\n0.500000 0.440339 0.250000 S\n0.500001 0.559661 0.750000 S\n0.503479 0.762762 0.606555 O\n0.496522 0.762762 0.893445 O\n0.496522 0.237237 0.393445 O\n0.503479 0.237237 0.106555 O\n0.695839 0.385251 0.761806 O\n0.304162 0.385251 0.738193 O\n0.695839 0.614749 0.261807 O\n0.304162 0.614749 0.238194 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"S",
"O"
],
"chemical_system": "Hg-O-S",
"density": 6.871349000185345,
"density_atomic": 0.058253580109892185,
"volume": 240.32857677742325,
"volume_molar": 10.337803700029356,
"formula_full": "Hg4 S2 O8",
"formula_reduced": "Hg2SO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2030175999999997,
"spacegroup": 13
},
{
"id": "jvasp-25595",
"created_at": "2022-09-04T14:38:00.688177Z",
"updated_at": "2022-09-04T14:38:00.688210Z",
"structure_string": "Hg4 Sb4 O14\n1.0\n6.442727 0.000000 3.719710\n2.147575 6.074261 3.719710\n0.000000 0.000000 7.439420\nHg Sb O\n4 4 14\ndirect\n0.500000 -0.000000 0.500000 Hg\n0.500001 0.500000 0.500000 Hg\n0.500001 0.500000 -0.000000 Hg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 -0.000000 Sb\n-0.000000 -0.000000 0.500000 Sb\n0.500000 -0.000000 -0.000000 Sb\n0.375000 0.375000 0.375000 O\n0.929130 0.320871 0.320871 O\n0.929130 0.320871 0.929129 O\n0.625001 0.625000 0.625000 O\n0.679129 0.070871 0.679129 O\n0.929130 0.929129 0.320871 O\n0.070872 0.679129 0.679129 O\n0.679129 0.070871 0.070871 O\n0.320871 0.320871 0.929129 O\n0.679130 0.679129 0.070871 O\n0.320872 0.929129 0.320871 O\n0.320872 0.929129 0.929129 O\n0.070872 0.679129 0.070871 O\n0.070871 0.070871 0.679129 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Hg",
"Sb",
"O"
],
"chemical_system": "Hg-O-Sb",
"density": 8.631736229052583,
"density_atomic": 0.07556495443976423,
"volume": 291.14025361501484,
"volume_molar": 7.969489037144174,
"formula_full": "Hg4 Sb4 O14",
"formula_reduced": "Hg2Sb2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 1.7406241727272724,
"spacegroup": 227
}
]
}