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=-energy_above_hull&page=994",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=992",
"results": [
{
"id": "jvasp-86620",
"created_at": "2022-09-04T14:36:07.417113Z",
"updated_at": "2022-09-04T14:36:07.417147Z",
"structure_string": "Cr2 Ag1 Bi1 O8\n1.0\n4.746238 0.000000 -1.870408\n-0.737095 4.688652 -1.870408\n-0.036164 -0.042294 6.865322\nCr Ag Bi O\n2 1 1 8\ndirect\n0.250001 0.750000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.750001 0.250000 0.500000 Ag\n0.500001 0.500000 -0.000000 Bi\n0.928994 0.543242 0.339678 O\n0.321658 0.207345 0.153182 O\n0.203565 0.071008 0.660322 O\n0.456759 0.589315 0.660322 O\n0.792657 0.168476 0.846818 O\n0.410686 0.796436 0.339678 O\n0.054163 0.678343 0.846818 O\n0.831527 0.945839 0.153182 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Cr",
"Ag",
"Bi",
"O"
],
"chemical_system": "Ag-Bi-Cr-O",
"density": 5.994778419025276,
"density_atomic": 0.07893374226950788,
"volume": 152.0262394126422,
"volume_molar": 7.6293617746365925,
"formula_full": "Cr2 Ag1 Bi1 O8",
"formula_reduced": "Cr2AgBiO8",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.8645461966666663,
"spacegroup": 82
},
{
"id": "jvasp-54863",
"created_at": "2022-09-04T14:37:52.697938Z",
"updated_at": "2022-09-04T14:37:52.697954Z",
"structure_string": "Ho1 Si2 Rh3\n1.0\n2.757085 -4.775411 -0.000000\n2.757085 4.775411 -0.000000\n0.000000 -0.000000 3.675772\nHo Si Rh\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ho\n0.666668 0.333334 0.000000 Si\n0.333334 0.666668 0.000000 Si\n0.000001 0.500000 0.500000 Rh\n0.500000 0.000001 0.500000 Rh\n0.500001 0.500001 0.500000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"Si",
"Rh"
],
"chemical_system": "Ho-Rh-Si",
"density": 9.089420322711081,
"density_atomic": 0.061988592942102586,
"volume": 96.79200180594528,
"volume_molar": 9.714917655292943,
"formula_full": "Ho1 Si2 Rh3",
"formula_reduced": "HoSi2Rh3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.864491961111111,
"spacegroup": 191
},
{
"id": "jvasp-41953",
"created_at": "2022-09-04T14:37:47.589022Z",
"updated_at": "2022-09-04T14:37:47.589043Z",
"structure_string": "Be1 Fe2 Si1\n1.0\n-0.000000 2.698917 2.698917\n2.698917 -0.000000 2.698917\n2.698917 2.698917 -0.000000\nBe Fe Si\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Be\n0.500001 0.500001 0.500001 Fe\n0.000000 0.000000 0.000000 Fe\n0.750001 0.750001 0.750001 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Si"
],
"chemical_system": "Be-Fe-Si",
"density": 6.283729668329894,
"density_atomic": 0.10173289633895352,
"volume": 39.31864857826131,
"volume_molar": 5.919560905781588,
"formula_full": "Be1 Fe2 Si1",
"formula_reduced": "BeFe2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.864468925,
"spacegroup": 225
},
{
"id": "jvasp-37100",
"created_at": "2022-09-04T14:38:01.279768Z",
"updated_at": "2022-09-04T14:38:01.279788Z",
"structure_string": "Sc2 C2\n1.0\n1.970181 -3.412455 0.000000\n1.970181 3.412455 0.000000\n-0.000000 0.000000 4.592980\nSc C\n2 2\ndirect\n0.666667 0.333332 0.562508 Sc\n0.333332 0.666667 0.062508 Sc\n0.666667 0.333332 0.062492 C\n0.333332 0.666667 0.562492 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"C"
],
"chemical_system": "C-Sc",
"density": 3.063387069269931,
"density_atomic": 0.06476828265610278,
"volume": 61.75862375784485,
"volume_molar": 9.297978135340546,
"formula_full": "Sc2 C2",
"formula_reduced": "ScC",
"formula_anonymous": "AB",
"energy_above_hull": 2.8644276250000003,
"spacegroup": 194
},
{
"id": "jvasp-29231",
"created_at": "2022-09-04T14:35:53.369767Z",
"updated_at": "2022-09-04T14:35:53.369779Z",
"structure_string": "Mg3 P2 H16 O16\n1.0\n4.609940 -0.002900 -0.730138\n-1.682606 7.781641 -2.239064\n-0.023015 0.093756 8.269776\nMg P H O\n3 2 16 16\ndirect\n0.000000 0.387080 0.612921 Mg\n-0.000000 0.612920 0.387080 Mg\n0.000000 0.000000 0.000000 Mg\n0.385028 0.314240 0.314240 P\n0.614972 0.685761 0.685761 P\n0.489700 0.827853 0.429947 H\n0.489700 0.429947 0.827854 H\n0.636247 0.207887 0.043465 H\n0.363753 0.956536 0.792114 H\n0.363753 0.792113 0.956536 H\n0.718139 0.178465 0.749141 H\n0.959712 0.318315 0.061259 H\n0.040288 0.938741 0.681685 H\n0.040288 0.681685 0.938742 H\n0.959712 0.061259 0.318315 H\n0.510300 0.570053 0.172147 H\n0.281862 0.250860 0.821536 H\n0.281861 0.821535 0.250860 H\n0.510301 0.172147 0.570054 H\n0.718138 0.749141 0.178465 H\n0.636248 0.043465 0.207887 H\n0.190710 0.015094 0.785547 O\n0.190708 0.785546 0.015094 O\n0.621138 0.842814 0.842814 O\n0.378862 0.157187 0.157187 O\n0.285923 0.602255 0.602255 O\n0.226919 0.441560 0.244283 O\n0.773082 0.558440 0.755718 O\n0.226919 0.244283 0.441561 O\n0.773081 0.755718 0.558440 O\n0.809292 0.214454 0.984907 O\n0.715856 0.174555 0.628215 O\n0.284145 0.371786 0.825446 O\n0.715855 0.628214 0.174555 O\n0.809291 0.984906 0.214454 O\n0.714077 0.397746 0.397746 O\n0.284144 0.825445 0.371786 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Mg",
"P",
"H",
"O"
],
"chemical_system": "H-Mg-O-P",
"density": 2.271063841663339,
"density_atomic": 0.12433944953719286,
"volume": 297.5724931847348,
"volume_molar": 4.843306595304361,
"formula_full": "Mg3 P2 H16 O16",
"formula_reduced": "Mg3P2(HO)16",
"formula_anonymous": "A2B3C16D16",
"energy_above_hull": 2.864389301351351,
"spacegroup": 12
},
{
"id": "jvasp-48268",
"created_at": "2022-09-04T14:35:58.317857Z",
"updated_at": "2022-09-04T14:35:58.317872Z",
"structure_string": "Li1 Co3 O6\n1.0\n4.222495 -2.437859 0.000447\n4.218588 2.431090 0.000223\n-1.407444 0.812588 4.750398\nLi Co O\n1 3 6\ndirect\n0.666668 0.666667 -0.000000 Li\n0.497198 0.005608 0.500001 Co\n0.166667 0.666668 0.500000 Co\n0.836138 0.327726 0.500001 Co\n0.240804 0.994160 0.704887 O\n0.092530 0.339175 0.295113 O\n0.765039 0.994160 0.295113 O\n0.568295 0.339175 0.704887 O\n0.438580 0.666668 0.299960 O\n0.894755 0.666668 0.700041 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.758304685572211,
"density_atomic": 0.10243615303634598,
"volume": 97.62178394625812,
"volume_molar": 5.878921241666747,
"formula_full": "Li1 Co3 O6",
"formula_reduced": "Li(CoO2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.86438437,
"spacegroup": 12
},
{
"id": "jvasp-59198",
"created_at": "2022-09-04T14:38:13.773744Z",
"updated_at": "2022-09-04T14:38:13.773760Z",
"structure_string": "Ba2 Mn4 O16\n1.0\n6.850737 -0.032384 -1.661147\n-3.635366 5.806700 -1.661147\n0.014064 0.025256 8.292629\nBa Mn O\n2 4 16\ndirect\n0.875000 0.125001 0.250000 Ba\n0.124999 0.875001 0.750000 Ba\n0.572030 0.427970 0.250000 Mn\n0.177970 0.822030 0.250000 Mn\n0.427970 0.572031 0.750000 Mn\n0.822030 0.177971 0.750000 Mn\n0.936385 0.131849 0.919825 O\n0.212022 0.516560 0.580174 O\n0.649985 0.640368 0.698770 O\n0.941598 0.451217 0.801230 O\n0.359632 0.350015 0.801230 O\n0.131848 0.936385 0.419825 O\n0.058402 0.548785 0.198770 O\n0.640368 0.649986 0.198770 O\n0.451215 0.941598 0.301229 O\n0.483440 0.787978 0.919825 O\n0.868152 0.063616 0.580174 O\n0.787977 0.483442 0.419825 O\n0.063615 0.868152 0.080174 O\n0.516559 0.212023 0.080174 O\n0.350014 0.359633 0.301230 O\n0.548785 0.058403 0.698770 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O",
"density": 3.7818809012617156,
"density_atomic": 0.06677141584548986,
"volume": 329.482304986738,
"volume_molar": 9.019040084360846,
"formula_full": "Ba2 Mn4 O16",
"formula_reduced": "BaMn2O8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 2.8642116775235107,
"spacegroup": 70
},
{
"id": "jvasp-116803",
"created_at": "2022-09-04T14:38:43.280210Z",
"updated_at": "2022-09-04T14:38:43.280231Z",
"structure_string": "Y3 Fe6 O12\n1.0\n3.484973 -0.016000 -0.023158\n1.737489 3.020997 -0.023158\n-0.219191 -0.126122 24.238888\nY Fe O\n3 6 12\ndirect\n0.309088 0.309090 0.658302 Y\n0.000000 0.000000 0.000000 Y\n0.690911 0.690912 0.341698 Y\n0.373524 0.373525 0.462911 Fe\n0.675281 0.675282 0.123993 Fe\n0.324718 0.324719 0.876007 Fe\n0.015832 0.015832 0.217963 Fe\n-0.015832 -0.015831 0.782037 Fe\n0.626475 0.626476 0.537089 Fe\n0.010114 0.010114 0.130254 O\n0.669168 0.669170 0.043210 O\n0.977838 0.977840 0.700908 O\n0.681080 0.681082 0.212318 O\n0.290287 0.290288 0.537023 O\n0.022161 0.022162 0.299092 O\n0.318919 0.318920 0.787682 O\n0.330831 0.330832 0.956790 O\n0.639242 0.639244 0.614989 O\n-0.010114 -0.010114 0.869746 O\n0.709712 0.709714 0.462977 O\n0.360757 0.360758 0.385011 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Y",
"Fe",
"O"
],
"chemical_system": "Fe-O-Y",
"density": 5.152008954585647,
"density_atomic": 0.0820817227048214,
"volume": 255.84258356174195,
"volume_molar": 7.336762145766058,
"formula_full": "Y3 Fe6 O12",
"formula_reduced": "Y(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.8641972071428565,
"spacegroup": 12
},
{
"id": "jvasp-112259",
"created_at": "2022-09-04T14:38:45.320641Z",
"updated_at": "2022-09-04T14:38:45.320665Z",
"structure_string": "H12 C12\n1.0\n5.201780 0.000000 -1.923304\n0.000000 5.487194 0.000000\n-0.046546 0.000000 7.670375\nH C\n12 12\ndirect\n0.960383 0.959895 0.203741 H\n0.182642 0.814322 0.512389 H\n0.182643 0.685676 0.012389 H\n0.817356 0.314323 0.987612 H\n0.639887 0.853399 0.716074 H\n0.360112 0.146600 0.283927 H\n0.817357 0.185677 0.487612 H\n0.639888 0.646600 0.216073 H\n0.960383 0.540104 0.703742 H\n0.039616 0.459895 0.296259 H\n0.039616 0.040105 0.796260 H\n0.360111 0.353399 0.783928 H\n0.321675 0.823536 0.006013 C\n0.678325 0.176464 0.993988 C\n0.579822 0.698736 0.620913 C\n0.420177 0.301263 0.379088 C\n0.420177 0.198737 0.879088 C\n0.758208 0.522210 0.614674 C\n0.241791 0.477790 0.385327 C\n0.241791 0.022210 0.885328 C\n0.758208 0.977789 0.114673 C\n0.321674 0.676463 0.506014 C\n0.579822 0.801263 0.120913 C\n0.678325 0.323536 0.493987 C\n",
"nsites": 24,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.1875518576404638,
"density_atomic": 0.10986715123825218,
"volume": 218.44563847800924,
"volume_molar": 5.481293263844349,
"formula_full": "H12 C12",
"formula_reduced": "HC",
"formula_anonymous": "AB",
"energy_above_hull": 2.864,
"spacegroup": 14
},
{
"id": "jvasp-18188",
"created_at": "2022-09-04T14:37:30.535089Z",
"updated_at": "2022-09-04T14:37:30.535116Z",
"structure_string": "Mn2 In1 Co1\n1.0\n3.716842 -0.000000 2.145920\n1.238948 3.504272 2.145920\n-0.000000 -0.000000 4.291840\nMn In Co\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.749999 0.750000 Mn\n0.250000 0.250000 0.250000 In\n0.500000 0.500000 0.500000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"In",
"Co"
],
"chemical_system": "Co-In-Mn",
"density": 8.425228217371618,
"density_atomic": 0.07155575356957591,
"volume": 55.900466425955166,
"volume_molar": 8.416011934168903,
"formula_full": "Mn2 In1 Co1",
"formula_reduced": "Mn2InCo",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8639663381896545,
"spacegroup": 216
},
{
"id": "jvasp-30062",
"created_at": "2022-09-04T14:38:06.585072Z",
"updated_at": "2022-09-04T14:38:06.585084Z",
"structure_string": "Nb2 Si1 Te4\n1.0\n2.975830 -0.479911 -2.170515\n-2.308536 7.952880 -1.744831\n0.825029 -0.605866 7.621678\nNb Si Te\n2 1 4\ndirect\n0.802128 0.366034 0.186389 Nb\n0.912173 0.333064 0.813051 Nb\n0.357137 0.849515 -0.000307 Si\n0.217070 0.060479 0.754262 Te\n0.497254 0.638636 0.245192 Te\n0.409987 0.555151 0.699769 Te\n0.304247 0.143921 0.299642 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Nb",
"Si",
"Te"
],
"chemical_system": "Nb-Si-Te",
"density": 6.656494322985907,
"density_atomic": 0.03874155662959968,
"volume": 180.68453126253053,
"volume_molar": 15.54439543453685,
"formula_full": "Nb2 Si1 Te4",
"formula_reduced": "Nb2SiTe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.863964066666667,
"spacegroup": 12
},
{
"id": "jvasp-99358",
"created_at": "2022-09-04T14:36:07.513679Z",
"updated_at": "2022-09-04T14:36:07.513705Z",
"structure_string": "Mg2 Ti4 P4 O20\n1.0\n7.406678 -0.059884 0.000000\n-3.749494 6.435233 0.000000\n0.000000 0.000000 7.421734\nMg Ti P O\n2 4 4 20\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500000 0.500000 Mg\n0.024666 0.292066 0.722330 Ti\n0.975335 0.707935 0.277669 Ti\n0.524667 0.792066 0.777669 Ti\n0.475334 0.207934 0.222331 Ti\n0.750266 0.994368 0.376472 P\n0.250266 0.494368 0.123527 P\n0.249735 0.005632 0.623527 P\n0.749735 0.505633 0.876472 P\n0.097749 0.313961 0.998006 O\n0.369548 0.927265 0.736681 O\n0.902252 0.686039 0.001994 O\n0.228678 -0.003154 0.161322 O\n0.869548 0.427266 0.763318 O\n0.919241 0.176899 0.489710 O\n0.728678 0.496846 0.338677 O\n0.580760 0.323102 0.989709 O\n0.771323 0.003155 0.838677 O\n0.630453 0.072735 0.263318 O\n0.597749 0.813961 0.501993 O\n0.852943 0.911619 0.246412 O\n0.402252 0.186039 0.498006 O\n0.352942 0.411619 0.253588 O\n0.080760 0.823101 0.510290 O\n0.147058 0.088381 0.753588 O\n0.647059 0.588381 0.746411 O\n0.130453 0.572734 0.236682 O\n0.271323 0.503154 0.661322 O\n0.419241 0.676899 0.010290 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Mg",
"Ti",
"P",
"O"
],
"chemical_system": "Mg-O-P-Ti",
"density": 3.2258045841662546,
"density_atomic": 0.08520770005961985,
"volume": 352.0808562959567,
"volume_molar": 7.067601585051945,
"formula_full": "Mg2 Ti4 P4 O20",
"formula_reduced": "MgTi2(PO5)2",
"formula_anonymous": "AB2C2D10",
"energy_above_hull": 2.8635067811111115,
"spacegroup": 14
}
]
}