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=-nsites&page=1037",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=1035",
"results": [
{
"id": "jvasp-11366",
"created_at": "2022-09-04T14:37:03.751567Z",
"updated_at": "2022-09-04T14:37:03.751594Z",
"structure_string": "Rb6 Al2 O6\n1.0\n6.719959 0.025292 -0.891258\n-3.001033 6.012678 -0.891258\n-0.009403 -0.015267 6.786315\nRb Al O\n6 2 6\ndirect\n0.369506 0.369506 0.652924 Rb\n0.630494 0.630494 0.347075 Rb\n0.196375 0.803625 0.499999 Rb\n0.803625 0.196374 0.499999 Rb\n0.269380 0.730620 -0.000000 Rb\n0.730620 0.269380 -0.000000 Rb\n0.842137 0.842136 0.854195 Al\n0.157864 0.157863 0.145804 Al\n0.852058 0.596651 0.738295 O\n0.403349 0.147943 0.261704 O\n0.147943 0.403348 0.261704 O\n0.596652 0.852057 0.738295 O\n0.902726 0.902726 0.135620 O\n0.097275 0.097274 0.864379 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Al",
"O"
],
"chemical_system": "Al-O-Rb",
"density": 4.008799826596408,
"density_atomic": 0.05099562355928202,
"volume": 274.5333623330462,
"volume_molar": 11.809132509183474,
"formula_full": "Rb6 Al2 O6",
"formula_reduced": "Rb3AlO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.6880761857142857,
"spacegroup": 12
},
{
"id": "jvasp-12520",
"created_at": "2022-09-04T14:37:05.772700Z",
"updated_at": "2022-09-04T14:37:05.772719Z",
"structure_string": "Li5 Cr1 Cl8\n1.0\n6.186708 0.004839 0.000000\n-2.036026 5.842087 0.000000\n0.000000 0.000000 7.195000\nLi Cr Cl\n5 1 8\ndirect\n0.500000 0.000000 0.233235 Li\n-0.000000 0.500000 0.766765 Li\n0.500000 0.000000 0.766765 Li\n-0.000000 0.500000 0.233235 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Cr\n0.266774 0.266774 0.267883 Cl\n0.733226 0.733227 0.267883 Cl\n0.265434 0.734566 0.500000 Cl\n0.266774 0.266774 0.732117 Cl\n0.733226 0.733227 0.732117 Cl\n0.250471 0.749529 0.000000 Cl\n0.734566 0.265435 0.500000 Cl\n0.749529 0.250472 0.000000 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Cr",
"Cl"
],
"chemical_system": "Cl-Cr-Li",
"density": 2.364043374471263,
"density_atomic": 0.053820933974563646,
"volume": 260.12183301420504,
"volume_molar": 11.189216379719698,
"formula_full": "Li5 Cr1 Cl8",
"formula_reduced": "Li5CrCl8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 0.676523567142857,
"spacegroup": 65
},
{
"id": "jvasp-13283",
"created_at": "2022-09-04T14:36:56.539069Z",
"updated_at": "2022-09-04T14:36:56.539087Z",
"structure_string": "Pr5 Cu1 Se8\n1.0\n7.738123 0.111647 -0.000000\n-2.474113 7.332787 0.000000\n-2.632005 -3.722217 6.253691\nPr Cu Se\n5 1 8\ndirect\n0.114471 0.743628 0.873016 Pr\n0.256372 0.629388 0.370842 Pr\n0.370612 0.241455 0.626984 Pr\n0.625000 0.375000 0.250000 Pr\n0.758546 0.885530 0.129158 Pr\n0.875000 0.125000 0.750000 Cu\n0.480249 0.990084 0.852506 Se\n0.525603 0.017274 0.377949 Se\n0.139325 0.147653 0.122051 Se\n0.372259 0.519752 0.009835 Se\n0.637577 0.627742 0.647493 Se\n0.982726 0.860676 0.508328 Se\n0.852347 0.474398 0.991671 Se\n0.009917 0.362423 0.490165 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Pr",
"Cu",
"Se"
],
"chemical_system": "Cu-Pr-Se",
"density": 6.518592107354682,
"density_atomic": 0.039262490764079234,
"volume": 356.5744232612065,
"volume_molar": 15.338152630677172,
"formula_full": "Pr5 Cu1 Se8",
"formula_reduced": "Pr5CuSe8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 1.568883330952381,
"spacegroup": 82
},
{
"id": "jvasp-58222",
"created_at": "2022-09-04T14:36:56.543292Z",
"updated_at": "2022-09-04T14:36:56.543309Z",
"structure_string": "Ba1 Mg1 Mn4 O8\n1.0\n2.693545 -4.665358 0.000000\n2.693545 4.665358 -0.000000\n-0.000000 0.000000 7.140058\nBa Mg Mn O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333334 0.666668 0.738107 Mn\n0.666668 0.333334 0.738107 Mn\n0.333334 0.666668 0.261893 Mn\n0.666668 0.333334 0.261893 Mn\n0.685888 0.000000 0.679278 O\n0.000000 0.685888 0.679278 O\n0.314113 0.314113 0.679278 O\n0.314113 0.000000 0.320722 O\n0.685889 0.685889 0.320722 O\n0.000000 0.314113 0.320722 O\n0.333334 0.666668 0.000000 O\n0.666668 0.333334 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Mn",
"O"
],
"chemical_system": "Ba-Mg-Mn-O",
"density": 4.713565123971524,
"density_atomic": 0.07801661255881623,
"volume": 179.44896017428965,
"volume_molar": 7.719049267180046,
"formula_full": "Ba1 Mg1 Mn4 O8",
"formula_reduced": "BaMgMn4O8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.9571822846798024,
"spacegroup": 162
},
{
"id": "jvasp-11310",
"created_at": "2022-09-04T14:37:03.766601Z",
"updated_at": "2022-09-04T14:37:03.766626Z",
"structure_string": "Mg2 W2 F10\n1.0\n4.870227 0.180073 -2.048662\n-1.817121 4.925529 -0.621121\n-0.217403 0.065230 7.838639\nMg W F\n2 2 10\ndirect\n0.269378 0.519378 0.750000 Mg\n0.730623 0.480622 0.250000 Mg\n0.000000 0.000000 0.000000 W\n0.500000 -0.000000 0.500000 W\n0.401164 0.151163 0.250000 F\n0.598837 0.848836 0.750000 F\n0.548084 0.699757 0.340483 F\n0.859274 0.207599 0.159518 F\n0.750093 0.673548 0.047847 F\n0.125703 0.702246 0.452154 F\n0.249908 0.326451 0.952154 F\n0.874298 0.297753 0.547847 F\n0.140727 0.792400 0.840483 F\n0.451918 0.300243 0.659518 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"W",
"F"
],
"chemical_system": "F-Mg-W",
"density": 5.33027496886481,
"density_atomic": 0.0741241258183099,
"volume": 188.8723792077662,
"volume_molar": 8.124400380466179,
"formula_full": "Mg2 W2 F10",
"formula_reduced": "MgWF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.6533314946428571,
"spacegroup": 15
},
{
"id": "jvasp-58467",
"created_at": "2022-09-04T14:37:03.775370Z",
"updated_at": "2022-09-04T14:37:03.775395Z",
"structure_string": "Y2 Mn4 O8\n1.0\n5.492388 0.032215 3.075741\n1.817617 5.183014 3.075741\n0.045155 0.032215 6.294798\nY Mn O\n2 4 8\ndirect\n0.617173 0.617173 0.617172 Y\n0.382827 0.382828 0.382827 Y\n0.000000 0.500000 -0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 -0.000000 Mn\n-0.000001 0.000000 0.500000 Mn\n0.197327 0.757688 0.757688 O\n0.242311 0.242313 0.802673 O\n0.242313 0.802673 0.242312 O\n0.246152 0.246152 0.246152 O\n0.757688 0.757688 0.197326 O\n0.802673 0.242313 0.242312 O\n0.757687 0.197328 0.757688 O\n0.753848 0.753849 0.753848 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Mn",
"O"
],
"chemical_system": "Mn-O-Y",
"density": 4.909859238537159,
"density_atomic": 0.07876375923153167,
"volume": 177.74672179937482,
"volume_molar": 7.645826987888541,
"formula_full": "Y2 Mn4 O8",
"formula_reduced": "YMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.09968056182266,
"spacegroup": 166
},
{
"id": "jvasp-12908",
"created_at": "2022-09-04T14:36:41.081514Z",
"updated_at": "2022-09-04T14:36:41.081535Z",
"structure_string": "B12 P2\n1.0\n4.922957 -0.000860 1.828133\n1.270949 4.756069 1.828133\n-0.001120 -0.000860 5.251435\nB P\n12 2\ndirect\n0.183803 0.717797 0.183802 B\n0.183803 0.183802 0.717797 B\n0.717797 0.183802 0.183802 B\n0.282204 0.816198 0.816197 B\n0.816198 0.282203 0.816197 B\n0.816198 0.816198 0.282202 B\n0.012766 0.326752 0.012766 B\n0.012766 0.012766 0.326752 B\n0.326752 0.012766 0.012766 B\n0.673249 0.987234 0.987234 B\n0.987235 0.673248 0.987234 B\n0.987235 0.987234 0.673247 B\n0.404669 0.404668 0.404668 P\n0.595332 0.595332 0.595331 P\n",
"nsites": 14,
"nelements": 2,
"elements": [
"B",
"P"
],
"chemical_system": "B-P",
"density": 2.58819912900716,
"density_atomic": 0.11384157686685213,
"volume": 122.97791707834693,
"volume_molar": 5.289930907267237,
"formula_full": "B12 P2",
"formula_reduced": "B6P",
"formula_anonymous": "AB6",
"energy_above_hull": 4.819624428571428,
"spacegroup": 166
},
{
"id": "jvasp-48309",
"created_at": "2022-09-04T14:37:02.764129Z",
"updated_at": "2022-09-04T14:37:02.764139Z",
"structure_string": "Li2 Ni3 Te1 O8\n1.0\n-5.082829 -1.285954 2.455010\n5.297370 -1.682370 2.667252\n3.324584 3.903525 2.688036\nLi Ni Te O\n2 3 1 8\ndirect\n0.500000 0.500000 0.500000 Li\n-0.000000 0.500000 -0.000000 Li\n0.500001 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Te\n0.746899 0.311339 0.253102 O\n0.771204 0.232518 0.756567 O\n0.243433 0.232518 0.228797 O\n0.753817 0.742898 0.246184 O\n0.246184 0.257102 0.753817 O\n0.756568 0.767482 0.771203 O\n0.228797 0.767482 0.243433 O\n0.253102 0.688661 0.746898 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ni",
"Te",
"O"
],
"chemical_system": "Li-Ni-O-Te",
"density": 5.022440436742295,
"density_atomic": 0.09503642087623819,
"volume": 147.31194494615482,
"volume_molar": 6.336666200679392,
"formula_full": "Li2 Ni3 Te1 O8",
"formula_reduced": "Li2Ni3TeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.093194497619048,
"spacegroup": 12
},
{
"id": "jvasp-59896",
"created_at": "2022-09-04T14:37:02.731851Z",
"updated_at": "2022-09-04T14:37:02.731874Z",
"structure_string": "Y2 Co4 S8\n1.0\n6.887297 -0.120065 -0.177575\n-3.272315 -6.102641 0.055693\n-3.292316 1.537139 -5.894911\nY Co S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Y\n0.500001 0.500000 0.500001 Y\n-0.000000 -0.000000 0.500000 Co\n0.500001 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.063385 0.775072 0.319156 S\n0.009730 0.742475 0.727471 S\n0.436624 0.180850 0.724941 S\n0.509750 0.227472 0.242482 S\n0.563378 0.819151 0.275061 S\n0.990271 0.257526 0.272530 S\n0.490251 0.772529 0.757519 S\n0.936616 0.224929 0.680845 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Co",
"S"
],
"chemical_system": "Co-S-Y",
"density": 4.380985304021266,
"density_atomic": 0.055123164039966366,
"volume": 253.97671276361194,
"volume_molar": 10.92488224303257,
"formula_full": "Y2 Co4 S8",
"formula_reduced": "Y(CoS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.6464638928571427,
"spacegroup": 15
},
{
"id": "jvasp-12879",
"created_at": "2022-09-04T14:36:48.206893Z",
"updated_at": "2022-09-04T14:36:48.206925Z",
"structure_string": "Ba8 P4 O2\n1.0\n6.631158 0.000000 -2.839207\n-0.000000 7.572094 0.000000\n-0.058494 0.000000 9.026743\nBa P O\n8 4 2\ndirect\n0.676611 0.434428 0.353221 Ba\n0.323390 0.565571 0.646779 Ba\n0.176610 0.065571 0.353221 Ba\n0.823391 0.934428 0.646778 Ba\n0.729819 0.250000 0.959635 Ba\n0.770183 0.750000 0.040364 Ba\n0.270182 0.750000 0.040365 Ba\n0.229818 0.250000 0.959635 Ba\n0.134765 0.476952 0.269530 P\n0.865236 0.523047 0.730470 P\n0.365236 0.976952 0.730470 P\n0.634765 0.023048 0.269530 P\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"P",
"O"
],
"chemical_system": "Ba-O-P",
"density": 4.608858296162434,
"density_atomic": 0.030974065957882987,
"volume": 451.99103078803125,
"volume_molar": 19.44252578330727,
"formula_full": "Ba8 P4 O2",
"formula_reduced": "Ba4P2O",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.97763834,
"spacegroup": 64
},
{
"id": "jvasp-50727",
"created_at": "2022-09-04T14:36:42.837104Z",
"updated_at": "2022-09-04T14:36:42.837114Z",
"structure_string": "Y1 Zr4 O9\n1.0\n5.219458 -0.018896 0.018640\n2.310288 5.637232 0.010937\n2.290734 0.161543 5.902314\nY Zr O\n1 4 9\ndirect\n0.187947 0.369293 0.209725 Y\n0.430329 0.801259 0.419368 Zr\n0.946021 0.025820 0.001125 Zr\n0.834164 0.609797 0.765142 Zr\n0.546502 0.216274 0.638426 Zr\n0.830504 0.709182 0.091786 O\n0.757949 0.468236 0.500240 O\n0.590364 0.105177 0.326940 O\n0.927298 0.949318 0.684536 O\n0.426858 0.865043 0.748153 O\n0.187213 0.992367 0.214844 O\n0.238610 0.534198 0.489813 O\n0.134256 0.306196 0.880280 O\n0.611990 0.347826 0.929621 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Zr",
"O"
],
"chemical_system": "O-Y-Zr",
"density": 5.715486955387627,
"density_atomic": 0.08060812966831078,
"volume": 173.6797523724679,
"volume_molar": 7.470885113921041,
"formula_full": "Y1 Zr4 O9",
"formula_reduced": "YZr4O9",
"formula_anonymous": "AB4C9",
"energy_above_hull": 3.436981782142857,
"spacegroup": 1
},
{
"id": "jvasp-13341",
"created_at": "2022-09-04T14:36:56.593402Z",
"updated_at": "2022-09-04T14:36:56.593421Z",
"structure_string": "Al4 Cd2 O8\n1.0\n5.976278 -0.000000 -0.000000\n2.988139 5.175608 0.000000\n2.988139 1.725202 4.879609\nAl Cd O\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.625000 0.625000 Al\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Cd\n0.395350 0.395350 0.395350 O\n0.395350 0.395350 0.813951 O\n0.395350 0.813951 0.395350 O\n0.813952 0.395350 0.395350 O\n0.436049 0.854650 0.854650 O\n0.854651 0.436048 0.854650 O\n0.854651 0.854650 0.436049 O\n0.854651 0.854650 0.854650 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Cd",
"O"
],
"chemical_system": "Al-Cd-O",
"density": 5.069101492771324,
"density_atomic": 0.09275788659631778,
"volume": 150.93056249683636,
"volume_molar": 6.4923220881566115,
"formula_full": "Al4 Cd2 O8",
"formula_reduced": "Al2CdO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.429572764285714,
"spacegroup": 227
}
]
}