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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=1545",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=1543",
"results": [
{
"id": "jvasp-38162",
"created_at": "2022-09-04T14:38:15.317241Z",
"updated_at": "2022-09-04T14:38:15.317256Z",
"structure_string": "Hg3 Pd1\n1.0\n4.347217 0.000000 0.000000\n0.000000 4.347217 0.000000\n0.000000 -0.000000 4.347217\nHg Pd\n3 1\ndirect\n0.500000 0.000000 0.500000 Hg\n0.000000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Pd"
],
"chemical_system": "Hg-Pd",
"density": 14.314129081203577,
"density_atomic": 0.048688459432416085,
"volume": 82.15499209935685,
"volume_molar": 12.368723163975371,
"formula_full": "Hg3 Pd1",
"formula_reduced": "Hg3Pd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0073274999999999,
"spacegroup": 221
},
{
"id": "jvasp-98528",
"created_at": "2022-09-04T14:35:42.134782Z",
"updated_at": "2022-09-04T14:35:42.134796Z",
"structure_string": "Hg12 P4 O16\n1.0\n7.531562 0.000000 -2.693055\n0.000000 8.203914 0.000000\n-0.121299 0.000000 9.405602\nHg P O\n12 4 16\ndirect\n0.997828 0.221596 0.441478 Hg\n0.593668 0.388277 0.465623 Hg\n0.764395 0.947782 0.619857 Hg\n0.406331 0.611723 0.534377 Hg\n0.264396 0.552218 0.119856 Hg\n0.906331 0.888277 0.034378 Hg\n0.497828 0.278404 0.941478 Hg\n0.235604 0.052218 0.380144 Hg\n0.502171 0.721595 0.058522 Hg\n0.002171 0.778404 0.558522 Hg\n0.093668 0.111723 0.965623 Hg\n0.735604 0.447782 0.880144 Hg\n0.454353 0.938620 0.752570 P\n0.954353 0.561379 0.252571 P\n0.545646 0.061379 0.247430 P\n0.045646 0.438620 0.747430 P\n0.556905 0.062680 0.685191 O\n0.443095 0.937320 0.314809 O\n0.844250 0.468076 0.330527 O\n0.677687 0.161525 0.384662 O\n0.409478 0.184207 0.141596 O\n0.177687 0.338475 0.884661 O\n0.943095 0.562679 0.814809 O\n0.655750 0.968075 0.169474 O\n0.155750 0.531924 0.669474 O\n0.344250 0.031924 0.830526 O\n0.090522 0.684207 0.358404 O\n0.909478 0.315792 0.641596 O\n0.590521 0.815792 0.858405 O\n0.822313 0.661525 0.115339 O\n0.322313 0.838474 0.615339 O\n0.056905 0.437320 0.185191 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Hg",
"P",
"O"
],
"chemical_system": "Hg-O-P",
"density": 8.000097094669146,
"density_atomic": 0.0553177559903944,
"volume": 578.4761045902984,
"volume_molar": 10.886451650435186,
"formula_full": "Hg12 P4 O16",
"formula_reduced": "Hg3PO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.9600716625,
"spacegroup": 14
},
{
"id": "jvasp-107933",
"created_at": "2022-09-04T14:35:46.812763Z",
"updated_at": "2022-09-04T14:35:46.812787Z",
"structure_string": "Hg3 Pt1\n1.0\n3.881993 -0.017486 -3.874202\n-0.680116 3.821991 -3.874202\n0.014716 0.017486 5.484441\nHg Pt\n3 1\ndirect\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.499999 0.499999 -0.000001 Hg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Pt"
],
"chemical_system": "Hg-Pt",
"density": 16.169195507689377,
"density_atomic": 0.04887880156561437,
"volume": 81.8350669795053,
"volume_molar": 12.320557311365224,
"formula_full": "Hg3 Pt1",
"formula_reduced": "Hg3Pt",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2747538375,
"spacegroup": 139
},
{
"id": "jvasp-107930",
"created_at": "2022-09-04T14:38:17.549879Z",
"updated_at": "2022-09-04T14:38:17.549904Z",
"structure_string": "Hg3 Pt1\n1.0\n4.338732 0.000000 0.000000\n0.000000 4.338732 0.000000\n0.000000 0.000000 4.338732\nHg Pt\n3 1\ndirect\n-0.000000 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 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Pt"
],
"chemical_system": "Hg-Pt",
"density": 16.20090889106768,
"density_atomic": 0.04897466979680653,
"volume": 81.67487430942978,
"volume_molar": 12.29643974116735,
"formula_full": "Hg3 Pt1",
"formula_reduced": "Hg3Pt",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2843213375,
"spacegroup": 221
},
{
"id": "jvasp-79033",
"created_at": "2022-09-04T14:37:11.721114Z",
"updated_at": "2022-09-04T14:37:11.721123Z",
"structure_string": "Hg3 Rh1\n1.0\n-2.068015 2.068015 4.634913\n2.068015 -2.068015 4.634913\n2.068015 2.068015 -4.634913\nHg Rh\n3 1\ndirect\n0.750002 0.250000 0.500001 Hg\n0.250000 0.750002 0.500001 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Rh"
],
"chemical_system": "Hg-Rh",
"density": 14.758061737984137,
"density_atomic": 0.0504488236992057,
"volume": 79.28827089902948,
"volume_molar": 11.937128199274182,
"formula_full": "Hg3 Rh1",
"formula_reduced": "Hg3Rh",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-38351",
"created_at": "2022-09-04T14:37:17.932366Z",
"updated_at": "2022-09-04T14:37:17.932386Z",
"structure_string": "Hg3 Sb1\n1.0\n-2.160603 2.160603 5.679910\n2.160603 -2.160603 5.679910\n2.160603 2.160603 -5.679910\nHg Sb\n3 1\ndirect\n0.749998 0.250000 0.499998 Hg\n0.250000 0.749998 0.499998 Hg\n0.500001 0.500001 0.000000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Sb"
],
"chemical_system": "Hg-Sb",
"density": 11.32802621829695,
"density_atomic": 0.03771452099740425,
"volume": 106.05994439847997,
"volume_molar": 15.967697854135498,
"formula_full": "Hg3 Sb1",
"formula_reduced": "Hg3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-38735",
"created_at": "2022-09-04T14:38:02.509343Z",
"updated_at": "2022-09-04T14:38:02.509362Z",
"structure_string": "Hg6 Sb2\n1.0\n3.220829 -5.578639 0.000000\n3.220829 5.578639 -0.000000\n-0.000000 -0.000000 5.846656\nHg Sb\n6 2\ndirect\n0.167196 0.334391 0.250000 Hg\n0.665609 0.832805 0.250000 Hg\n0.167196 0.832805 0.250000 Hg\n0.832805 0.665609 0.750001 Hg\n0.334391 0.167196 0.750001 Hg\n0.832805 0.167196 0.750001 Hg\n0.333333 0.666667 0.750001 Sb\n0.666667 0.333333 0.250000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hg",
"Sb"
],
"chemical_system": "Hg-Sb",
"density": 11.436737998919542,
"density_atomic": 0.03807645631199009,
"volume": 210.1035856501394,
"volume_molar": 15.815917087073196,
"formula_full": "Hg6 Sb2",
"formula_reduced": "Hg3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0055525,
"spacegroup": 194
},
{
"id": "jvasp-29404",
"created_at": "2022-09-04T14:37:59.073569Z",
"updated_at": "2022-09-04T14:37:59.073588Z",
"structure_string": "Hg12 Sb4 As4 S12\n1.0\n4.436076 0.000000 0.000000\n0.000000 11.767501 -0.378967\n0.000000 0.001477 15.988525\nHg Sb As S\n12 4 4 12\ndirect\n0.265896 0.629885 0.574056 Hg\n0.137519 0.118580 0.818712 Hg\n0.362481 0.618580 0.318712 Hg\n0.217806 0.108990 0.312816 Hg\n0.765896 0.870115 0.925944 Hg\n0.782195 0.891010 0.687184 Hg\n0.637520 0.381420 0.681288 Hg\n0.234105 0.129885 0.074056 Hg\n0.734105 0.370115 0.425944 Hg\n0.862482 0.881420 0.181288 Hg\n0.282194 0.608990 0.812816 Hg\n0.717806 0.391010 0.187184 Hg\n0.693055 0.357502 0.948698 Sb\n0.806946 0.857502 0.448698 Sb\n0.306946 0.642498 0.051302 Sb\n0.193055 0.142499 0.551302 Sb\n0.648355 0.597974 0.691212 As\n0.851647 0.097974 0.191212 As\n0.351646 0.402026 0.308788 As\n0.148354 0.902026 0.808788 As\n0.063899 0.327303 0.832559 S\n0.926366 0.617568 0.930229 S\n0.073635 0.382433 0.069771 S\n0.936102 0.672697 0.167441 S\n0.426366 0.882433 0.569772 S\n0.879818 0.645935 0.463680 S\n0.436102 0.827303 0.332559 S\n0.573635 0.117568 0.430229 S\n0.379817 0.854065 0.036320 S\n0.563899 0.172697 0.667442 S\n0.120183 0.354065 0.536320 S\n0.620184 0.145935 0.963680 S\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Hg",
"Sb",
"As",
"S"
],
"chemical_system": "As-Hg-S-Sb",
"density": 7.119798297603864,
"density_atomic": 0.03834043748295339,
"volume": 834.6279307383379,
"volume_molar": 15.707021503543128,
"formula_full": "Hg12 Sb4 As4 S12",
"formula_reduced": "Hg3SbAsS3",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 0.6561227062500001,
"spacegroup": 14
},
{
"id": "jvasp-12525",
"created_at": "2022-09-04T14:36:47.808237Z",
"updated_at": "2022-09-04T14:36:47.808254Z",
"structure_string": "Hg6 S4 Cl4\n1.0\n7.392435 0.000000 -2.613621\n-3.696218 6.402037 -2.613621\n0.000000 0.000000 7.840862\nHg S Cl\n6 4 4\ndirect\n0.750000 0.945212 0.195212 Hg\n0.304789 0.250000 0.554788 Hg\n0.554789 0.304789 0.250000 Hg\n0.195212 0.750000 0.945212 Hg\n0.945212 0.195212 0.750000 Hg\n0.250000 0.554789 0.304789 Hg\n-0.000000 0.964441 0.500000 S\n0.500000 -0.000000 0.964440 S\n0.964441 0.500000 0.000000 S\n0.535560 0.535560 0.535560 S\n-0.000000 0.478691 0.500000 Cl\n0.500000 -0.000000 0.478691 Cl\n0.021309 0.021309 0.021309 Cl\n0.478691 0.500000 0.000000 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Hg",
"S",
"Cl"
],
"chemical_system": "Cl-Hg-S",
"density": 6.594209523888969,
"density_atomic": 0.037727543718781766,
"volume": 371.08167190408506,
"volume_molar": 15.96218615473241,
"formula_full": "Hg6 S4 Cl4",
"formula_reduced": "Hg3(SCl)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.0,
"spacegroup": 199
},
{
"id": "jvasp-29462",
"created_at": "2022-09-04T14:37:01.376451Z",
"updated_at": "2022-09-04T14:37:01.376478Z",
"structure_string": "Hg6 Se8 O10\n1.0\n7.245822 0.069623 -2.349875\n-2.738220 7.300567 -0.755159\n0.009431 -0.010025 8.973973\nHg Se O\n6 8 10\ndirect\n0.007396 0.477365 0.720140 Hg\n0.295110 0.821345 0.094433 Hg\n0.017330 0.985259 0.755906 Hg\n0.704889 0.178655 0.905566 Hg\n0.992604 0.522635 0.279859 Hg\n0.982670 0.014742 0.244093 Hg\n0.377797 0.324346 0.601209 Se\n0.770759 0.145605 0.641776 Se\n0.746746 0.194990 0.201193 Se\n0.622203 0.675655 0.398790 Se\n0.253254 0.805011 0.798806 Se\n0.650379 0.638717 0.910061 Se\n0.229241 0.854396 0.358223 Se\n0.349620 0.361283 0.089938 Se\n0.834696 0.635681 0.473427 O\n0.438853 0.438702 0.316386 O\n0.165304 0.364319 0.526572 O\n0.789223 0.856559 0.922638 O\n0.179702 0.463747 0.035372 O\n0.210777 0.143442 0.077361 O\n0.820298 0.536254 0.964627 O\n0.626635 0.741681 0.223220 O\n0.561147 0.561299 0.683613 O\n0.373365 0.258319 0.776779 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Hg",
"Se",
"O"
],
"chemical_system": "Hg-O-Se",
"density": 6.953588530769913,
"density_atomic": 0.05037112482236707,
"volume": 476.4634517223032,
"volume_molar": 11.955541555279893,
"formula_full": "Hg6 Se8 O10",
"formula_reduced": "Hg3Se4O5",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 1.2364095638888888,
"spacegroup": 2
},
{
"id": "jvasp-24628",
"created_at": "2022-09-04T14:37:18.173195Z",
"updated_at": "2022-09-04T14:37:18.173205Z",
"structure_string": "Hg6 Se4 Cl4\n1.0\n7.499708 -0.000000 -2.651548\n-3.749854 6.494937 -2.651548\n0.000000 0.000000 7.954642\nHg Se Cl\n6 4 4\ndirect\n0.750001 0.940205 0.190205 Hg\n0.309795 0.250000 0.559795 Hg\n0.559795 0.309795 0.250000 Hg\n0.190206 0.750000 0.940205 Hg\n0.940205 0.190205 0.750000 Hg\n0.250000 0.559795 0.309795 Hg\n0.947195 0.500000 -0.000000 Se\n0.500000 -0.000000 0.947194 Se\n0.552806 0.552806 0.552806 Se\n0.000001 0.947195 0.500000 Se\n0.468501 0.500000 -0.000000 Cl\n0.500000 -0.000000 0.468500 Cl\n0.000000 0.468500 0.500000 Cl\n0.031500 0.031500 0.031500 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Hg",
"Se",
"Cl"
],
"chemical_system": "Cl-Hg-Se",
"density": 7.119163909767298,
"density_atomic": 0.03613167535247284,
"volume": 387.4716537062499,
"volume_molar": 16.667205993778666,
"formula_full": "Hg6 Se4 Cl4",
"formula_reduced": "Hg3(SeCl)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.0,
"spacegroup": 199
},
{
"id": "jvasp-116618",
"created_at": "2022-09-04T14:38:42.692324Z",
"updated_at": "2022-09-04T14:38:42.692353Z",
"structure_string": "Hg6 Se4 F4\n1.0\n6.919968 -0.000000 -2.446578\n-3.459984 5.992868 -2.446578\n-0.000000 -0.000000 7.339735\nHg Se F\n6 4 4\ndirect\n0.167928 0.917927 0.250000 Hg\n0.332074 0.582073 0.750000 Hg\n0.917927 0.250000 0.167927 Hg\n0.582074 0.750000 0.332073 Hg\n0.250000 0.167927 0.917926 Hg\n0.750000 0.332073 0.582073 Hg\n0.909654 0.909653 0.909652 Se\n0.590347 0.500000 -0.000000 Se\n0.000000 0.590347 0.500000 Se\n0.500000 0.000000 0.590346 Se\n0.452016 0.452016 0.452016 F\n0.047984 0.500000 0.000000 F\n0.000000 0.047984 0.500000 F\n0.500000 0.000000 0.047984 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Hg",
"Se",
"F"
],
"chemical_system": "F-Hg-Se",
"density": 8.703467739976132,
"density_atomic": 0.04599481300115663,
"volume": 304.38214847504526,
"volume_molar": 13.093086735342442,
"formula_full": "Hg6 Se4 F4",
"formula_reduced": "Hg3(SeF)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.0,
"spacegroup": 199
}
]
}