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=-volume_molar&page=4014",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=4012",
"results": [
{
"id": "jvasp-5296",
"created_at": "2022-09-04T14:36:52.454502Z",
"updated_at": "2022-09-04T14:36:52.454525Z",
"structure_string": "Ca2 H4\n1.0\n1.902243 -3.294781 0.000000\n1.902243 3.294781 0.000000\n0.000000 0.000000 5.316893\nCa H\n2 4\ndirect\n0.666666 0.333332 0.750000 Ca\n0.333332 0.666666 0.250000 Ca\n0.666666 0.333332 0.250000 H\n0.333332 0.666666 0.750000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"H"
],
"chemical_system": "Ca-H",
"density": 2.097575434480477,
"density_atomic": 0.09002658718220963,
"volume": 66.64697827383236,
"volume_molar": 6.689291406561338,
"formula_full": "Ca2 H4",
"formula_reduced": "CaH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1851134733333335,
"spacegroup": 194
},
{
"id": "jvasp-35988",
"created_at": "2022-09-04T14:37:20.018061Z",
"updated_at": "2022-09-04T14:37:20.018086Z",
"structure_string": "Hf1 N1\n1.0\n2.811131 0.000000 -0.000000\n-0.000000 2.811131 0.000000\n0.000000 -0.000000 2.811131\nHf N\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"N"
],
"chemical_system": "Hf-N",
"density": 14.388950978159077,
"density_atomic": 0.09002989475576342,
"volume": 22.214843252073962,
"volume_molar": 6.689045651266278,
"formula_full": "Hf1 N1",
"formula_reduced": "HfN",
"formula_anonymous": "AB",
"energy_above_hull": 3.0631281249999995,
"spacegroup": 221
},
{
"id": "jvasp-10477",
"created_at": "2022-09-04T14:37:09.182316Z",
"updated_at": "2022-09-04T14:37:09.182327Z",
"structure_string": "Li2 Al2 Pd2 F12\n1.0\n2.512183 -4.351229 0.000000\n2.512183 4.351229 0.000000\n-0.000000 -0.000000 9.144785\nLi Al Pd F\n2 2 2 12\ndirect\n0.333332 0.666666 0.250000 Li\n0.666666 0.333332 0.750000 Li\n0.666666 0.333332 0.250000 Al\n0.333332 0.666666 0.750000 Al\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.975202 0.346932 0.361691 F\n0.024797 0.371729 0.861691 F\n0.653067 0.628270 0.361691 F\n0.371729 0.346932 0.138308 F\n0.975202 0.628269 0.138308 F\n0.346932 0.371729 0.638308 F\n0.628269 0.975202 0.638308 F\n0.346932 0.975202 0.861691 F\n0.024797 0.653067 0.638308 F\n0.653067 0.024797 0.138308 F\n0.371729 0.024797 0.361691 F\n0.628270 0.653067 0.861691 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Al",
"Pd",
"F"
],
"chemical_system": "Al-F-Li-Pd",
"density": 4.224886315985273,
"density_atomic": 0.09003384495215545,
"volume": 199.92481726805417,
"volume_molar": 6.688752172252783,
"formula_full": "Li2 Al2 Pd2 F12",
"formula_reduced": "LiAlPdF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.108334466111111,
"spacegroup": 163
},
{
"id": "jvasp-43763",
"created_at": "2022-09-04T14:36:12.607249Z",
"updated_at": "2022-09-04T14:36:12.607279Z",
"structure_string": "Mn4 P4 O16\n1.0\n4.761225 -0.000000 0.000000\n-0.000000 6.539136 0.000000\n0.000000 0.000000 8.561812\nMn P O\n4 4 16\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.537441 0.250000 0.179107 P\n0.962558 0.250000 0.679107 P\n0.037441 0.750000 0.320892 P\n0.462559 0.750000 0.820892 P\n0.770084 0.750000 0.873919 O\n0.428524 0.750000 0.635656 O\n0.729915 0.750000 0.373919 O\n0.071476 0.750000 0.135657 O\n0.314016 0.553965 0.876310 O\n0.185983 0.553965 0.376310 O\n0.814016 0.446036 0.623690 O\n0.571475 0.250000 0.364343 O\n0.928523 0.250000 0.864343 O\n0.270084 0.250000 0.626081 O\n0.185983 0.946036 0.376310 O\n0.229916 0.250000 0.126081 O\n0.814016 0.053965 0.623690 O\n0.685983 0.053965 0.123690 O\n0.685983 0.446036 0.123690 O\n0.314016 0.946036 0.876310 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 3.735366439000909,
"density_atomic": 0.09003398630060827,
"volume": 266.56600452931247,
"volume_molar": 6.688741671276323,
"formula_full": "Mn4 P4 O16",
"formula_reduced": "MnPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.7699511235632186,
"spacegroup": 62
},
{
"id": "jvasp-102165",
"created_at": "2022-09-04T14:36:37.328720Z",
"updated_at": "2022-09-04T14:36:37.328735Z",
"structure_string": "W4 N6\n1.0\n4.944424 0.001897 0.792613\n-2.639979 4.180651 0.792613\n-0.000571 -0.001036 5.371461\nW N\n4 6\ndirect\n0.330614 0.993546 0.008951 W\n0.677416 0.677417 0.983902 W\n0.993546 0.330615 0.008951 W\n0.492285 0.492286 0.521588 W\n0.092854 0.092854 0.749740 N\n0.411527 0.746475 0.747128 N\n0.746475 0.411527 0.747128 N\n0.263568 0.580278 0.250727 N\n0.904093 0.904094 0.253150 N\n0.580278 0.263568 0.250727 N\n",
"nsites": 10,
"nelements": 2,
"elements": [
"W",
"N"
],
"chemical_system": "N-W",
"density": 12.250566213958871,
"density_atomic": 0.0900349232959127,
"volume": 111.06801265475136,
"volume_molar": 6.68867206140374,
"formula_full": "W4 N6",
"formula_reduced": "W2N3",
"formula_anonymous": "A2B3",
"energy_above_hull": 6.541457950000001,
"spacegroup": 8
},
{
"id": "jvasp-19767",
"created_at": "2022-09-04T14:38:27.261430Z",
"updated_at": "2022-09-04T14:38:27.261456Z",
"structure_string": "Nb1 N1\n1.0\n2.732586 -0.000000 1.577659\n0.910862 2.576306 1.577659\n0.000000 0.000000 3.155318\nNb N\n1 1\ndirect\n0.500000 0.500001 0.500000 Nb\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"N"
],
"chemical_system": "N-Nb",
"density": 7.992184842818686,
"density_atomic": 0.09003587235542242,
"volume": 22.21336837949291,
"volume_molar": 6.68860155675197,
"formula_full": "Nb1 N1",
"formula_reduced": "NbN",
"formula_anonymous": "AB",
"energy_above_hull": 3.035086325,
"spacegroup": 225
},
{
"id": "jvasp-114280",
"created_at": "2022-09-04T14:38:40.192063Z",
"updated_at": "2022-09-04T14:38:40.192086Z",
"structure_string": "Ga1 N1 O4\n1.0\n-2.260875 2.260875 3.259277\n2.260875 -2.260875 3.259277\n2.260875 2.260875 -3.259277\nGa N O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.750002 0.500001 N\n0.545983 0.681403 0.493288 O\n0.188116 0.052695 0.506714 O\n0.318598 0.811887 0.864582 O\n-0.052695 0.454019 0.135421 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ga",
"N",
"O"
],
"chemical_system": "Ga-N-O",
"density": 3.6810819951879936,
"density_atomic": 0.09003614334703686,
"volume": 66.63990456447581,
"volume_molar": 6.688581425337331,
"formula_full": "Ga1 N1 O4",
"formula_reduced": "GaNO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.5479982625,
"spacegroup": 82
},
{
"id": "jvasp-110539",
"created_at": "2022-09-04T14:38:39.665466Z",
"updated_at": "2022-09-04T14:38:39.665487Z",
"structure_string": "Sr1 Nd1 Mn1 Co1 O6\n1.0\n4.672582 0.000000 2.697717\n1.557527 4.405353 2.697717\n0.000000 0.000000 5.395434\nSr Nd Mn Co O\n1 1 1 1 6\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Nd\n0.750000 0.749999 0.750001 Mn\n0.250000 0.250000 0.250000 Co\n0.500211 0.500211 -0.000211 O\n-0.000211 -0.000211 0.500211 O\n-0.000211 0.500211 0.500211 O\n0.500211 -0.000211 -0.000211 O\n0.500211 -0.000211 0.500211 O\n-0.000211 0.500211 -0.000211 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Nd",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Mn-Nd-O-Sr",
"density": 6.604525308519815,
"density_atomic": 0.0900401002627616,
"volume": 111.06162666209022,
"volume_molar": 6.688287487936763,
"formula_full": "Sr1 Nd1 Mn1 Co1 O6",
"formula_reduced": "SrNdMnCoO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.5195846951379317,
"spacegroup": 216
},
{
"id": "jvasp-19812",
"created_at": "2022-09-04T14:38:16.895175Z",
"updated_at": "2022-09-04T14:38:16.895206Z",
"structure_string": "Cu2 O2\n1.0\n2.891667 -0.434930 0.185918\n0.430641 2.892309 0.185918\n-0.365803 -0.270570 5.154359\nCu O\n2 2\ndirect\n0.986505 0.486505 0.508000 Cu\n0.486505 0.986504 0.008000 Cu\n0.486969 0.486026 0.258001 O\n0.486026 0.486969 0.758001 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"O"
],
"chemical_system": "Cu-O",
"density": 5.946645481892762,
"density_atomic": 0.09004049550106466,
"volume": 44.424455660094665,
"volume_molar": 6.68825812928672,
"formula_full": "Cu2 O2",
"formula_reduced": "CuO",
"formula_anonymous": "AB",
"energy_above_hull": 0.37123965625,
"spacegroup": 131
},
{
"id": "jvasp-30302",
"created_at": "2022-09-04T14:38:01.773908Z",
"updated_at": "2022-09-04T14:38:01.773925Z",
"structure_string": "Mn5 Sb1 O12\n1.0\n5.102459 -0.003573 0.242507\n-2.565320 4.410696 0.242507\n0.427750 0.743020 8.968070\nMn Sb O\n5 1 12\ndirect\n0.166926 0.833076 0.500000 Mn\n0.333336 0.666665 0.000000 Mn\n0.500000 0.500001 0.500000 Mn\n0.666665 0.333337 0.000000 Mn\n0.833075 0.166926 0.500000 Mn\n0.000000 0.000000 0.000000 Sb\n0.798580 0.465421 0.604135 O\n0.534580 0.201421 0.395865 O\n0.868688 0.868688 0.394582 O\n0.687304 0.687304 0.889164 O\n0.312697 0.312697 0.110836 O\n0.201421 0.534581 0.395865 O\n0.465421 0.798580 0.604135 O\n0.613311 0.963004 0.110838 O\n0.386690 0.036997 0.889162 O\n0.963004 0.613311 0.110838 O\n0.131313 0.131313 0.605419 O\n0.036997 0.386690 0.889162 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"Sb",
"O"
],
"chemical_system": "Mn-O-Sb",
"density": 4.88790619302299,
"density_atomic": 0.09004131950959654,
"volume": 199.90822100382005,
"volume_molar": 6.688196922034404,
"formula_full": "Mn5 Sb1 O12",
"formula_reduced": "Mn5SbO12",
"formula_anonymous": "AB5C12",
"energy_above_hull": 3.5206346837164757,
"spacegroup": 12
},
{
"id": "jvasp-91366",
"created_at": "2022-09-04T14:36:02.443373Z",
"updated_at": "2022-09-04T14:36:02.443400Z",
"structure_string": "Ta4 Fe2 O12\n1.0\n4.755640 0.000000 0.000000\n0.000000 4.755640 0.000000\n0.000000 0.000000 8.839144\nTa Fe O\n4 2 12\ndirect\n0.000000 0.000000 0.327838 Ta\n0.000000 0.000000 0.672162 Ta\n0.500001 0.500001 0.172162 Ta\n0.500001 0.500001 0.827837 Ta\n0.000000 0.000000 0.000000 Fe\n0.500001 0.500001 0.500000 Fe\n0.798304 0.201695 0.163862 O\n0.201695 0.798304 0.163862 O\n0.701695 0.701695 0.336138 O\n0.698235 0.698235 0.000000 O\n0.298304 0.298304 0.336138 O\n0.298304 0.298304 0.663861 O\n0.701695 0.701695 0.663861 O\n0.301766 0.301766 0.000000 O\n0.198234 0.801765 0.500000 O\n0.801765 0.198234 0.500000 O\n0.201695 0.798304 0.836137 O\n0.798304 0.201695 0.836137 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"O"
],
"chemical_system": "Fe-O-Ta",
"density": 8.534771965689083,
"density_atomic": 0.09004183838809542,
"volume": 199.90706900515494,
"volume_molar": 6.688158380378201,
"formula_full": "Ta4 Fe2 O12",
"formula_reduced": "Ta2FeO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.835247211111111,
"spacegroup": 136
},
{
"id": "jvasp-46861",
"created_at": "2022-09-04T14:35:51.180468Z",
"updated_at": "2022-09-04T14:35:51.180496Z",
"structure_string": "Fe2 Sb2 O8\n1.0\n-0.000000 4.675841 3.047751\n-0.000000 4.675841 -3.047751\n-4.675841 -0.000000 -3.047751\nFe Sb O\n2 2 8\ndirect\n0.742052 0.757948 0.500000 Fe\n0.492052 0.507948 0.000000 Fe\n0.251838 0.248162 0.500000 Sb\n0.001838 0.998162 0.000000 Sb\n0.070845 0.738624 0.809470 O\n0.551299 0.258320 0.809619 O\n0.511376 0.798094 0.690530 O\n-0.008320 0.317940 0.690381 O\n0.511376 0.179155 0.309470 O\n-0.008320 0.698701 0.309619 O\n0.451905 0.738624 0.190530 O\n0.932060 0.258321 0.190381 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"Sb",
"O"
],
"chemical_system": "Fe-O-Sb",
"density": 6.02076600972417,
"density_atomic": 0.0900434856399205,
"volume": 133.26894127563446,
"volume_molar": 6.688036027483706,
"formula_full": "Fe2 Sb2 O8",
"formula_reduced": "FeSbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.473175933333334,
"spacegroup": 109
}
]
}