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=-spacegroup&page=3589",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3587",
"results": [
{
"id": "jvasp-50524",
"created_at": "2022-09-04T14:37:07.559982Z",
"updated_at": "2022-09-04T14:37:07.560009Z",
"structure_string": "Dy4 Al4 O12\n1.0\n5.204626 -0.000000 0.000000\n0.000000 5.359942 0.000000\n0.000000 0.000000 7.423482\nDy Al O\n4 4 12\ndirect\n0.012729 0.946427 0.750000 Dy\n0.487272 0.446427 0.750000 Dy\n0.512729 0.553573 0.250000 Dy\n0.987272 0.053573 0.250000 Dy\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.794062 0.793555 0.045230 O\n0.705939 0.293555 0.454770 O\n0.705939 0.293555 0.045230 O\n0.585785 0.022292 0.750000 O\n0.414215 0.977708 0.250000 O\n0.205939 0.206445 0.545230 O\n0.294061 0.706444 0.545230 O\n0.205939 0.206445 0.954770 O\n0.794062 0.793555 0.454770 O\n0.085785 0.477708 0.250000 O\n0.294061 0.706444 0.954770 O\n0.914216 0.522292 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Dy",
"Al",
"O"
],
"chemical_system": "Al-Dy-O",
"density": 7.616902106979917,
"density_atomic": 0.09657677941208866,
"volume": 207.0891172986927,
"volume_molar": 6.235599071184393,
"formula_full": "Dy4 Al4 O12",
"formula_reduced": "DyAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4727579599999996,
"spacegroup": 62
},
{
"id": "jvasp-30213",
"created_at": "2022-09-04T14:37:07.595449Z",
"updated_at": "2022-09-04T14:37:07.595461Z",
"structure_string": "Sm4 H8 Cl4 O8\n1.0\n12.623191 0.000000 0.000000\n0.000000 3.757408 -0.000000\n0.000000 0.000000 6.274762\nSm H Cl O\n4 8 4 8\ndirect\n0.060847 0.750000 0.248226 Sm\n0.439153 0.250000 0.748226 Sm\n0.560847 0.750000 0.251774 Sm\n0.939153 0.250000 0.751774 Sm\n0.845141 0.750000 0.057035 H\n0.654859 0.250000 0.557035 H\n0.616669 0.750000 0.799845 H\n0.883331 0.250000 0.299845 H\n0.345141 0.750000 0.442964 H\n0.154859 0.250000 0.942964 H\n0.116669 0.750000 0.700154 H\n0.383331 0.250000 0.200155 H\n0.220507 0.250000 0.408350 Cl\n0.279493 0.750000 0.908350 Cl\n0.720507 0.250000 0.091649 Cl\n0.779493 0.750000 0.591649 Cl\n0.917445 0.750000 -0.000331 O\n0.046142 0.750000 0.633595 O\n0.082555 0.250000 0.000331 O\n0.417445 0.750000 0.500331 O\n0.453858 0.250000 0.133595 O\n0.546142 0.750000 0.866404 O\n0.582555 0.250000 0.499668 O\n0.953858 0.250000 0.366405 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sm",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O-Sm",
"density": 4.906103413681226,
"density_atomic": 0.08064110584394574,
"volume": 297.61496632305716,
"volume_molar": 7.467830081167124,
"formula_full": "Sm4 H8 Cl4 O8",
"formula_reduced": "SmH2ClO2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.77826332375,
"spacegroup": 62
},
{
"id": "jvasp-45533",
"created_at": "2022-09-04T14:37:07.597979Z",
"updated_at": "2022-09-04T14:37:07.597992Z",
"structure_string": "Y4 Fe4 O12\n1.0\n0.000000 5.605176 -0.000097\n5.209361 0.000000 0.000000\n0.000000 -0.000420 -7.458264\nY Fe O\n4 4 12\ndirect\n0.075777 0.979477 0.250001 Y\n0.424223 0.479477 0.749999 Y\n0.575778 0.520523 0.250001 Y\n0.924223 0.020523 0.749999 Y\n0.500000 0.000000 0.500000 Fe\n-0.000000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.971477 0.398893 0.250000 O\n0.528524 0.898893 0.750000 O\n0.695664 0.306327 0.949070 O\n0.804337 0.806327 0.050930 O\n0.195662 0.193673 0.550929 O\n0.804339 0.806327 0.449071 O\n0.304337 0.693673 0.050930 O\n0.195664 0.193673 0.949070 O\n0.028524 0.601107 0.750000 O\n0.695662 0.306327 0.550929 O\n0.304338 0.693673 0.449071 O\n0.471477 0.101107 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Y",
"Fe",
"O"
],
"chemical_system": "Fe-O-Y",
"density": 5.87881609389866,
"density_atomic": 0.09183717904665586,
"volume": 217.77672406334955,
"volume_molar": 6.557410432805851,
"formula_full": "Y4 Fe4 O12",
"formula_reduced": "YFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.36122429,
"spacegroup": 62
},
{
"id": "jvasp-9125",
"created_at": "2022-09-04T14:37:07.705363Z",
"updated_at": "2022-09-04T14:37:07.705397Z",
"structure_string": "Pb4 F8\n1.0\n3.897906 -0.000000 0.000000\n-0.000000 6.455488 0.000000\n0.000000 0.000000 7.683951\nPb F\n4 8\ndirect\n0.250000 0.754640 0.606807 Pb\n0.750001 0.245360 0.393193 Pb\n0.250000 0.254640 0.893193 Pb\n0.750001 0.745360 0.106807 Pb\n0.250000 0.973238 0.342396 F\n0.750001 0.026762 0.657604 F\n0.250000 0.473238 0.157604 F\n0.750001 0.526762 0.842395 F\n0.750001 0.140750 0.066945 F\n0.250000 0.859250 0.933055 F\n0.750001 0.640751 0.433055 F\n0.250000 0.359250 0.566945 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pb",
"F"
],
"chemical_system": "F-Pb",
"density": 8.423234114206394,
"density_atomic": 0.06206349371243028,
"volume": 193.35037849467054,
"volume_molar": 9.703193294118192,
"formula_full": "Pb4 F8",
"formula_reduced": "PbF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-19077",
"created_at": "2022-09-04T14:37:09.569612Z",
"updated_at": "2022-09-04T14:37:09.569638Z",
"structure_string": "Mg4 Al8 S16\n1.0\n5.952668 0.000000 0.000000\n-0.000000 7.255276 0.000000\n0.000000 0.000000 12.554974\nMg Al S\n4 8 16\ndirect\n0.002348 0.750000 0.266200 Mg\n0.502348 0.250000 0.233800 Mg\n0.997653 0.250000 0.733800 Mg\n0.497653 0.750000 0.766199 Mg\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.411368 0.250000 0.914172 Al\n0.088633 0.250000 0.414172 Al\n0.588633 0.750000 0.085827 Al\n0.911368 0.750000 0.585827 Al\n0.760646 0.995725 0.158869 S\n0.739355 0.995725 0.658869 S\n0.239355 0.004275 0.841130 S\n0.739355 0.504275 0.658869 S\n0.239355 0.495725 0.841130 S\n0.260645 0.004275 0.341131 S\n0.770176 0.750000 0.925816 S\n0.711977 0.250000 0.415219 S\n0.229825 0.250000 0.074184 S\n0.729825 0.750000 0.425816 S\n0.288023 0.750000 0.584780 S\n0.788023 0.250000 0.915219 S\n0.760646 0.504275 0.158869 S\n0.211977 0.750000 0.084780 S\n0.270176 0.250000 0.574184 S\n0.260645 0.495725 0.341131 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Al",
"S"
],
"chemical_system": "Al-Mg-S",
"density": 2.5299199133580346,
"density_atomic": 0.05163885622290545,
"volume": 542.2273467703191,
"volume_molar": 11.662033593472117,
"formula_full": "Mg4 Al8 S16",
"formula_reduced": "Mg(AlS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.451187807142857,
"spacegroup": 62
},
{
"id": "jvasp-19010",
"created_at": "2022-09-04T14:37:07.723870Z",
"updated_at": "2022-09-04T14:37:07.723900Z",
"structure_string": "Sb8 S12\n1.0\n3.889722 0.000000 0.000000\n0.000000 11.198930 0.000000\n0.000000 0.000000 11.472696\nSb S\n8 12\ndirect\n0.750000 0.464686 0.849747 Sb\n0.250000 0.535314 0.150253 Sb\n0.250000 0.964686 0.650253 Sb\n0.750000 0.035314 0.349747 Sb\n0.250000 0.173237 0.974329 Sb\n0.750000 0.826763 0.025672 Sb\n0.750000 0.673237 0.525672 Sb\n0.250000 0.326763 0.474329 Sb\n0.750000 0.807931 0.707934 S\n0.250000 0.192069 0.292066 S\n0.750000 0.125154 0.549791 S\n0.250000 0.874846 0.450210 S\n0.250000 0.625154 0.950210 S\n0.250000 0.940666 0.124163 S\n0.750000 0.440666 0.375837 S\n0.250000 0.559334 0.624163 S\n0.750000 0.692069 0.207934 S\n0.750000 0.059334 0.875838 S\n0.750000 0.374846 0.049790 S\n0.250000 0.307931 0.792066 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sb",
"S"
],
"chemical_system": "S-Sb",
"density": 4.515056954114765,
"density_atomic": 0.04001929341726501,
"volume": 499.7589485518417,
"volume_molar": 15.048093671243942,
"formula_full": "Sb8 S12",
"formula_reduced": "Sb2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.83011044,
"spacegroup": 62
},
{
"id": "jvasp-42863",
"created_at": "2022-09-04T14:37:07.856619Z",
"updated_at": "2022-09-04T14:37:07.856636Z",
"structure_string": "Pr4 Cr4 Se12\n1.0\n3.971632 0.000000 0.000000\n0.000000 8.179785 0.000000\n0.000000 0.000000 13.752591\nPr Cr Se\n4 4 12\ndirect\n0.250000 0.094513 0.828336 Pr\n0.750000 0.405487 0.328336 Pr\n0.250000 0.594513 0.671664 Pr\n0.750000 0.905487 0.171664 Pr\n0.250000 0.338499 0.051107 Cr\n0.750000 0.161501 0.551107 Cr\n0.250000 0.838498 0.448893 Cr\n0.750000 0.661501 0.948892 Cr\n0.250000 0.842083 0.004753 Se\n0.750000 0.157917 0.995247 Se\n0.250000 0.342083 0.495247 Se\n0.750000 0.809443 0.788178 Se\n0.250000 0.690557 0.288178 Se\n0.250000 0.987068 0.608089 Se\n0.250000 0.190557 0.211822 Se\n0.750000 0.512931 0.108089 Se\n0.750000 0.657916 0.504753 Se\n0.750000 0.012931 0.391911 Se\n0.750000 0.309443 0.711822 Se\n0.250000 0.487069 0.891911 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pr",
"Cr",
"Se"
],
"chemical_system": "Cr-Pr-Se",
"density": 6.389452744109246,
"density_atomic": 0.044764586629544946,
"volume": 446.78174212827105,
"volume_molar": 13.45291270047235,
"formula_full": "Pr4 Cr4 Se12",
"formula_reduced": "PrCrSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.01710947,
"spacegroup": 62
},
{
"id": "jvasp-50910",
"created_at": "2022-09-04T14:37:08.342175Z",
"updated_at": "2022-09-04T14:37:08.342208Z",
"structure_string": "Sc4 Ti4 O12\n1.0\n5.115429 0.000000 0.000000\n0.000000 5.505446 0.000000\n0.000000 0.000000 7.517686\nSc Ti O\n4 4 12\ndirect\n0.973456 0.925816 0.758038 Sc\n0.526544 0.425815 0.758038 Sc\n0.473456 0.574185 0.258038 Sc\n0.026544 0.074185 0.258038 Sc\n0.000005 0.499990 0.508046 Ti\n0.499995 -0.000011 0.508046 Ti\n0.500005 0.000011 0.008046 Ti\n-0.000005 0.500011 0.008046 Ti\n0.181047 0.809574 0.078635 O\n0.318971 0.309569 0.437481 O\n0.318953 0.309573 0.078635 O\n0.352253 0.066221 0.758051 O\n0.647747 0.933780 0.258051 O\n0.818953 0.190427 0.578635 O\n0.681047 0.690428 0.578635 O\n0.818971 0.190432 0.937482 O\n0.181029 0.809569 0.437481 O\n0.852254 0.433779 0.258051 O\n0.681029 0.690432 0.937482 O\n0.147747 0.566222 0.758051 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sc",
"Ti",
"O"
],
"chemical_system": "O-Sc-Ti",
"density": 4.417922648161232,
"density_atomic": 0.09446506878603946,
"volume": 211.71847178028736,
"volume_molar": 6.374992192764891,
"formula_full": "Sc4 Ti4 O12",
"formula_reduced": "ScTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.232000816666667,
"spacegroup": 62
},
{
"id": "jvasp-18942",
"created_at": "2022-09-04T14:37:07.996793Z",
"updated_at": "2022-09-04T14:37:07.996808Z",
"structure_string": "Si4 Pt4\n1.0\n3.653857 0.000000 0.000000\n-0.000000 5.713382 0.000000\n0.000000 0.000000 5.985556\nSi Pt\n4 4\ndirect\n0.250000 0.679864 0.084340 Si\n0.750001 0.320136 0.915661 Si\n0.250000 0.179864 0.415660 Si\n0.750001 0.820136 0.584340 Si\n0.250000 0.490477 0.694697 Pt\n0.750001 0.509523 0.305304 Pt\n0.250000 0.990477 0.805304 Pt\n0.750001 0.009523 0.194696 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Pt"
],
"chemical_system": "Pt-Si",
"density": 11.863002506376532,
"density_atomic": 0.06402368688760843,
"volume": 124.95375366376118,
"volume_molar": 9.406113663169194,
"formula_full": "Si4 Pt4",
"formula_reduced": "SiPt",
"formula_anonymous": "AB",
"energy_above_hull": 1.6235749999999998,
"spacegroup": 62
},
{
"id": "jvasp-34550",
"created_at": "2022-09-04T14:37:08.020613Z",
"updated_at": "2022-09-04T14:37:08.020629Z",
"structure_string": "K4 Cl4 O12\n1.0\n4.628117 0.000000 0.000000\n0.000000 5.585603 0.000000\n0.000000 0.000000 13.071142\nK Cl O\n4 4 12\ndirect\n0.982556 0.250000 0.354044 K\n0.017445 0.750000 0.645956 K\n0.482556 0.750000 0.145956 K\n0.517445 0.250000 0.854044 K\n0.527713 0.750000 0.414200 Cl\n0.972288 0.750000 0.914200 Cl\n0.027713 0.250000 0.085800 Cl\n0.472288 0.250000 0.585799 Cl\n0.521353 0.465862 0.652146 O\n0.656696 0.750000 0.941387 O\n0.978648 0.034137 0.152146 O\n0.343304 0.250000 0.058613 O\n0.521353 0.034137 0.652146 O\n0.478647 0.534137 0.347854 O\n0.021353 0.965862 0.847853 O\n0.156696 0.250000 0.558613 O\n0.478647 0.965862 0.347854 O\n0.021353 0.534137 0.847853 O\n0.843305 0.750000 0.441387 O\n0.978648 0.465862 0.152146 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"Cl",
"O"
],
"chemical_system": "Cl-K-O",
"density": 2.408977288513349,
"density_atomic": 0.059189145300812714,
"volume": 337.8997939293674,
"volume_molar": 10.174400609088218,
"formula_full": "K4 Cl4 O12",
"formula_reduced": "KClO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.332051075666666,
"spacegroup": 62
},
{
"id": "jvasp-50201",
"created_at": "2022-09-04T14:37:08.114256Z",
"updated_at": "2022-09-04T14:37:08.114286Z",
"structure_string": "Lu4 Al4 O12\n1.0\n5.097520 0.000000 0.000000\n0.000000 5.352665 0.000000\n0.000000 0.000000 7.324713\nLu Al O\n4 4 12\ndirect\n0.016896 0.934747 0.750000 Lu\n0.483104 0.434746 0.750000 Lu\n0.516896 0.565255 0.250000 Lu\n0.983104 0.065254 0.250000 Lu\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.803080 0.800881 0.052519 O\n0.696920 0.300881 0.447481 O\n0.696920 0.300881 0.052519 O\n0.601649 0.032007 0.750000 O\n0.398351 0.967994 0.250000 O\n0.196920 0.199120 0.552518 O\n0.303080 0.699120 0.947481 O\n0.196920 0.199120 0.947481 O\n0.803080 0.800881 0.447481 O\n0.101649 0.467994 0.250000 O\n0.303080 0.699120 0.552518 O\n0.898351 0.532007 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Lu",
"Al",
"O"
],
"chemical_system": "Al-Lu-O",
"density": 8.306861095442404,
"density_atomic": 0.10007149340697487,
"volume": 199.85711533916233,
"volume_molar": 6.017838402299954,
"formula_full": "Lu4 Al4 O12",
"formula_reduced": "LuAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4503278099999997,
"spacegroup": 62
},
{
"id": "jvasp-5200",
"created_at": "2022-09-04T14:37:08.151878Z",
"updated_at": "2022-09-04T14:37:08.151905Z",
"structure_string": "Bi4 Se4 I4\n1.0\n4.258323 0.000000 0.000000\n0.000000 8.824060 0.000000\n0.000000 0.000000 10.739937\nBi Se I\n4 4 4\ndirect\n0.750000 0.128224 0.128750 Bi\n0.250000 0.871776 0.871250 Bi\n0.750000 0.628224 0.371250 Bi\n0.250000 0.371776 0.628750 Bi\n0.250000 0.170336 0.950084 Se\n0.750000 0.329664 0.450084 Se\n0.250000 0.670336 0.549916 Se\n0.750000 0.829664 0.049916 Se\n0.250000 0.484764 0.172859 I\n0.750000 0.015236 0.672859 I\n0.250000 0.984764 0.327141 I\n0.750000 0.515236 0.827141 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"Se",
"I"
],
"chemical_system": "Bi-I-Se",
"density": 6.827882302426187,
"density_atomic": 0.0297353092485871,
"volume": 403.5606255068691,
"volume_molar": 20.252490766633436,
"formula_full": "Bi4 Se4 I4",
"formula_reduced": "BiSeI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4380146472222224,
"spacegroup": 62
}
]
}