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=-nelements&page=1192",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=1190",
"results": [
{
"id": "jvasp-114830",
"created_at": "2022-09-04T14:38:41.350774Z",
"updated_at": "2022-09-04T14:38:41.350804Z",
"structure_string": "Cr1 N1 O2\n1.0\n-1.551560 2.458709 2.563175\n1.551560 -2.458709 2.563175\n1.551560 2.458709 -2.563175\nCr N O\n1 1 2\ndirect\n0.006544 0.006544 -0.000000 Cr\n0.637142 0.637142 -0.000000 N\n0.707083 0.478158 0.228925 O\n0.249234 0.478159 0.771077 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"N",
"O"
],
"chemical_system": "Cr-N-O",
"density": 4.160718252627237,
"density_atomic": 0.10226947718682727,
"volume": 39.112354047657306,
"volume_molar": 5.8885025382487015,
"formula_full": "Cr1 N1 O2",
"formula_reduced": "CrNO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5387969125,
"spacegroup": 44
},
{
"id": "jvasp-114502",
"created_at": "2022-09-04T14:38:41.426694Z",
"updated_at": "2022-09-04T14:38:41.426710Z",
"structure_string": "La1 B1 O2\n1.0\n3.777558 0.000000 -0.000000\n0.000000 3.777558 -0.000000\n0.000000 0.000000 4.381490\nLa B O\n1 1 2\ndirect\n0.500000 0.500000 0.562691 La\n0.000000 0.000000 0.046484 B\n0.000000 0.000000 0.343849 O\n0.500000 0.500000 0.056977 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"B",
"O"
],
"chemical_system": "B-La-O",
"density": 4.826101083751685,
"density_atomic": 0.06397582340413088,
"volume": 62.52361887915494,
"volume_molar": 9.41315084287161,
"formula_full": "La1 B1 O2",
"formula_reduced": "LaBO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.297626145833333,
"spacegroup": 99
},
{
"id": "jvasp-114333",
"created_at": "2022-09-04T14:38:41.435406Z",
"updated_at": "2022-09-04T14:38:41.435432Z",
"structure_string": "Li2 Y2 P2\n1.0\n4.629891 -0.000000 -0.000000\n-0.000000 4.629891 -0.000000\n-0.000000 -0.000000 6.581801\nLi Y P\n2 2 2\ndirect\n0.499999 0.000000 0.605770 Li\n0.000000 0.499999 0.394230 Li\n0.499999 0.499999 0.000000 Y\n0.000000 0.000000 0.000000 Y\n0.000000 0.499999 0.768667 P\n0.499999 0.000000 0.231332 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Y",
"P"
],
"chemical_system": "Li-P-Y",
"density": 2.9852634043772595,
"density_atomic": 0.04252702178976085,
"volume": 141.08676666007702,
"volume_molar": 14.160739470004314,
"formula_full": "Li2 Y2 P2",
"formula_reduced": "LiYP",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7085669833333337,
"spacegroup": 129
},
{
"id": "jvasp-114630",
"created_at": "2022-09-04T14:38:41.513813Z",
"updated_at": "2022-09-04T14:38:41.513831Z",
"structure_string": "Ag1 Pb1 Cl1\n1.0\n3.254495 -0.000000 0.000000\n-0.000000 3.254495 0.000000\n-0.000000 0.000000 7.987198\nAg Pb Cl\n1 1 1\ndirect\n0.000000 0.000000 0.311775 Ag\n0.000000 0.000000 0.673307 Pb\n0.000000 0.000000 0.005232 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ag",
"Pb",
"Cl"
],
"chemical_system": "Ag-Cl-Pb",
"density": 6.8802104004122375,
"density_atomic": 0.035461702890453146,
"volume": 84.59830621410028,
"volume_molar": 16.982096935963153,
"formula_full": "Ag1 Pb1 Cl1",
"formula_reduced": "AgPbCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0455,
"spacegroup": 99
},
{
"id": "jvasp-114449",
"created_at": "2022-09-04T14:38:41.515959Z",
"updated_at": "2022-09-04T14:38:41.515972Z",
"structure_string": "Ba1 Au1 O1\n1.0\n5.087095 -0.000000 -0.000000\n-2.543548 4.405554 -0.000000\n-0.000000 -0.000000 4.363838\nBa Au O\n1 1 1\ndirect\n0.333334 0.666666 0.000000 Ba\n0.000000 0.000000 0.000000 Au\n0.666668 0.333333 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Au",
"O"
],
"chemical_system": "Au-Ba-O",
"density": 5.947596827615769,
"density_atomic": 0.03067483660399358,
"volume": 97.80003195222979,
"volume_molar": 19.632185291627515,
"formula_full": "Ba1 Au1 O1",
"formula_reduced": "BaAuO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6327190133333331,
"spacegroup": 187
},
{
"id": "jvasp-114447",
"created_at": "2022-09-04T14:38:41.661458Z",
"updated_at": "2022-09-04T14:38:41.661487Z",
"structure_string": "Ba1 Au1 O1\n1.0\n5.003442 -0.000000 -0.000000\n0.000000 5.003442 0.000000\n0.000000 0.000000 7.146880\nBa Au O\n1 1 1\ndirect\n0.000000 0.000000 0.394133 Ba\n0.000000 0.000000 -0.019464 Au\n0.000000 0.000000 0.698441 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Au",
"O"
],
"chemical_system": "Au-Ba-O",
"density": 3.2510697569821514,
"density_atomic": 0.01676745019443258,
"volume": 178.9180802812888,
"volume_molar": 35.91566213209672,
"formula_full": "Ba1 Au1 O1",
"formula_reduced": "BaAuO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7157190133333331,
"spacegroup": 99
},
{
"id": "jvasp-114420",
"created_at": "2022-09-04T14:38:41.329447Z",
"updated_at": "2022-09-04T14:38:41.329463Z",
"structure_string": "Sc2 P2 Se2\n1.0\n-1.759343 2.545384 6.486202\n1.759343 -2.545384 6.486202\n1.759343 2.545384 -6.486202\nSc P Se\n2 2 2\ndirect\n0.369521 0.869520 0.499999 Sc\n0.630480 0.130480 0.500000 Sc\n0.779355 0.500000 0.279354 P\n0.220646 0.499999 0.720645 P\n0.206866 0.206866 -0.000000 Se\n0.793134 0.793134 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"P",
"Se"
],
"chemical_system": "P-Sc-Se",
"density": 4.42738480750264,
"density_atomic": 0.05164127568377541,
"volume": 116.18613058168647,
"volume_molar": 11.661487212044277,
"formula_full": "Sc2 P2 Se2",
"formula_reduced": "ScPSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.705771372222222,
"spacegroup": 71
},
{
"id": "jvasp-112502",
"created_at": "2022-09-04T14:38:41.332827Z",
"updated_at": "2022-09-04T14:38:41.332860Z",
"structure_string": "Li6 Co4 O10\n1.0\n2.830922 0.000000 -0.000000\n-1.415461 2.445676 -0.171050\n-0.000000 0.036530 23.948469\nLi Co O\n6 4 10\ndirect\n0.099006 0.198013 0.297018 Li\n0.501543 0.003087 0.504630 Li\n0.900001 0.800001 0.700000 Li\n0.298457 0.596914 0.895370 Li\n0.700994 0.401988 0.102982 Li\n0.400001 0.800001 0.200000 Li\n0.200943 0.401886 0.602829 Co\n0.599057 0.198115 0.797171 Co\n0.997375 0.994749 0.992121 Co\n0.802627 0.605253 0.407879 Co\n0.251434 0.502869 0.754302 O\n0.150575 0.301150 0.451725 O\n0.548566 0.097132 0.645698 O\n0.946572 0.893145 0.839715 O\n0.344073 0.688145 0.032216 O\n0.751647 0.503295 0.254942 O\n0.048353 0.096706 0.145059 O\n0.455929 0.911857 0.367784 O\n0.853429 0.706858 0.560285 O\n0.649425 0.298851 0.948275 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.3797562319709025,
"density_atomic": 0.120608824959481,
"volume": 165.8253449257886,
"volume_molar": 4.993117843593255,
"formula_full": "Li6 Co4 O10",
"formula_reduced": "Li3Co2O5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 2.31801993,
"spacegroup": 166
},
{
"id": "jvasp-112553",
"created_at": "2022-09-04T14:38:41.346546Z",
"updated_at": "2022-09-04T14:38:41.346562Z",
"structure_string": "Ba4 Ho8 S16\n1.0\n4.024385 -0.000000 0.000000\n0.000000 12.242950 0.000000\n-0.000000 -0.000000 14.478717\nBa Ho S\n4 8 16\ndirect\n0.250000 0.757826 0.337702 Ba\n0.250000 0.257826 0.162298 Ba\n0.750001 0.242174 0.662298 Ba\n0.750001 0.742174 0.837702 Ba\n0.750001 0.078560 0.398545 Ho\n0.750001 0.578560 0.101455 Ho\n0.250000 0.421440 0.898545 Ho\n0.250000 0.921440 0.601455 Ho\n0.750001 0.567256 0.608256 Ho\n0.250000 0.932744 0.108256 Ho\n0.250000 0.432744 0.391744 Ho\n0.750001 0.067256 0.891744 Ho\n0.250000 0.022396 0.282854 S\n0.250000 0.918502 0.922931 S\n0.250000 0.418502 0.577070 S\n0.750001 0.477604 0.782854 S\n0.750001 0.977604 0.717147 S\n0.250000 0.522396 0.217146 S\n0.750001 0.375657 0.023142 S\n0.250000 0.707454 0.661923 S\n0.250000 0.624343 0.976858 S\n0.250000 0.124343 0.523142 S\n0.750001 0.292546 0.338077 S\n0.750001 0.792546 0.161923 S\n0.750001 0.581498 0.422930 S\n0.250000 0.207454 0.838077 S\n0.750001 0.875657 0.476858 S\n0.750001 0.081498 0.077070 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ba",
"Ho",
"S"
],
"chemical_system": "Ba-Ho-S",
"density": 5.544175765745516,
"density_atomic": 0.03925024341305119,
"volume": 713.3713721298772,
"volume_molar": 15.342938632573077,
"formula_full": "Ba4 Ho8 S16",
"formula_reduced": "Ba(HoS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.318589586190476,
"spacegroup": 62
},
{
"id": "jvasp-114492",
"created_at": "2022-09-04T14:38:41.360317Z",
"updated_at": "2022-09-04T14:38:41.360340Z",
"structure_string": "B2 H2 C2\n1.0\n2.702937 -0.000000 0.000000\n-1.351469 2.340812 -0.000000\n0.000000 0.000000 5.970344\nB H C\n2 2 2\ndirect\n0.666667 0.333333 0.250000 B\n0.333333 0.666667 0.750000 B\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 H\n0.666667 0.333333 0.750000 C\n0.333333 0.666667 0.250000 C\n",
"nsites": 6,
"nelements": 3,
"elements": [
"B",
"H",
"C"
],
"chemical_system": "B-C-H",
"density": 2.0950517790837453,
"density_atomic": 0.15883618112767292,
"volume": 37.77476867929219,
"volume_molar": 3.7914162360522803,
"formula_full": "B2 H2 C2",
"formula_reduced": "BHC",
"formula_anonymous": "ABC",
"energy_above_hull": 4.151924194444444,
"spacegroup": 194
},
{
"id": "jvasp-114596",
"created_at": "2022-09-04T14:38:41.365045Z",
"updated_at": "2022-09-04T14:38:41.365069Z",
"structure_string": "Ba1 Zr1 Te1\n1.0\n7.765346 -0.653841 0.000000\n-0.731112 4.011495 0.000000\n0.000000 0.000000 3.644642\nBa Zr Te\n1 1 1\ndirect\n0.454672 0.099709 0.000000 Ba\n-0.158248 -0.206476 0.000000 Zr\n0.095906 0.420461 0.000000 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Te"
],
"chemical_system": "Ba-Te-Zr",
"density": 5.290266828152006,
"density_atomic": 0.026835863025598535,
"volume": 111.79070325177624,
"volume_molar": 22.44064502138621,
"formula_full": "Ba1 Zr1 Te1",
"formula_reduced": "BaZrTe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4716727455555554,
"spacegroup": 38
},
{
"id": "jvasp-116258",
"created_at": "2022-09-04T14:38:41.372620Z",
"updated_at": "2022-09-04T14:38:41.372645Z",
"structure_string": "Mg1 Al1 O1\n1.0\n3.267657 0.000000 -0.000000\n0.000000 3.267657 -0.000000\n-0.000000 -0.000000 6.228961\nMg Al O\n1 1 1\ndirect\n-0.000000 -0.000000 -0.019283 Mg\n0.000000 0.000000 0.419246 Al\n0.000000 0.000000 0.687243 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Al",
"O"
],
"chemical_system": "Al-Mg-O",
"density": 1.6799055866409653,
"density_atomic": 0.04510583393909151,
"volume": 66.5102435319351,
"volume_molar": 13.351134951039757,
"formula_full": "Mg1 Al1 O1",
"formula_reduced": "MgAlO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6557851166666668,
"spacegroup": 99
}
]
}