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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=441",
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"results": [
{
"id": "jvasp-116476",
"created_at": "2022-09-04T14:38:42.325156Z",
"updated_at": "2022-09-04T14:38:42.325170Z",
"structure_string": "Pd4 Pb2 O8\n1.0\n5.282812 0.002117 -3.930585\n-1.332169 5.112087 -3.930585\n-0.001635 -0.002117 6.584649\nPd Pb O\n4 2 8\ndirect\n0.374999 0.125000 0.750000 Pd\n0.375000 0.625000 0.250001 Pd\n0.374999 0.625000 0.750000 Pd\n0.874999 0.625001 0.250001 Pd\n0.000000 0.000000 0.000000 Pb\n0.749999 0.250000 0.500001 Pb\n0.750804 0.610437 0.457395 O\n0.153041 0.293410 0.542606 O\n0.596957 0.956590 0.957395 O\n0.999195 0.639565 0.042607 O\n0.706589 0.249196 0.859632 O\n0.389564 0.846959 0.140369 O\n0.360436 0.403042 0.359632 O\n0.043409 0.000804 0.640368 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Pd",
"Pb",
"O"
],
"chemical_system": "O-Pb-Pd",
"density": 9.04339461642689,
"density_atomic": 0.07875920536548928,
"volume": 177.75699913466272,
"volume_molar": 7.646269070458123,
"formula_full": "Pd4 Pb2 O8",
"formula_reduced": "Pd2PbO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.032223745714285,
"spacegroup": 88
},
{
"id": "jvasp-114568",
"created_at": "2022-09-04T14:38:42.323206Z",
"updated_at": "2022-09-04T14:38:42.323230Z",
"structure_string": "Ba1 F3\n1.0\n4.283592 0.111038 1.676146\n-2.022143 -3.597652 -0.710212\n-2.567933 -2.287573 -4.942035\nBa F\n1 3\ndirect\n0.624271 0.500136 0.750507 Ba\n0.165937 0.041679 0.023123 F\n0.624192 0.500093 0.250513 F\n0.082491 -0.041479 0.477852 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"F"
],
"chemical_system": "Ba-F",
"density": 5.328005529291224,
"density_atomic": 0.06604700377704699,
"volume": 60.56292899376159,
"volume_molar": 9.117962080957938,
"formula_full": "Ba1 F3",
"formula_reduced": "BaF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.194735070625,
"spacegroup": 12
},
{
"id": "jvasp-114910",
"created_at": "2022-09-04T14:38:42.323134Z",
"updated_at": "2022-09-04T14:38:42.323154Z",
"structure_string": "Cu2 Sb2 S2\n1.0\n3.691530 0.000000 0.000000\n0.000000 5.192357 0.000000\n0.000000 0.000000 6.274429\nCu Sb S\n2 2 2\ndirect\n0.000000 0.307210 0.002904 Cu\n0.500000 0.692791 0.502905 Cu\n0.000000 0.048350 0.379851 Sb\n0.500000 0.951650 0.879851 Sb\n0.500000 0.565848 0.124944 S\n0.000000 0.434152 0.624943 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cu",
"Sb",
"S"
],
"chemical_system": "Cu-S-Sb",
"density": 6.002546599677763,
"density_atomic": 0.04988914881131001,
"volume": 120.26663398674349,
"volume_molar": 12.071043309992822,
"formula_full": "Cu2 Sb2 S2",
"formula_reduced": "CuSbS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8615455166666668,
"spacegroup": 31
},
{
"id": "jvasp-111841",
"created_at": "2022-09-04T14:38:42.321777Z",
"updated_at": "2022-09-04T14:38:42.321800Z",
"structure_string": "Li1 Mn2 P2 H4 O10\n1.0\n4.945232 0.065733 -1.222388\n-1.215496 5.022636 -1.330381\n0.025502 -0.096369 7.532633\nLi Mn P H O\n1 2 2 4 10\ndirect\n0.090104 0.394722 0.920474 Li\n0.989392 0.489936 0.494484 Mn\n0.512276 0.008002 0.002665 Mn\n0.427171 0.588936 0.256399 P\n0.568392 0.424180 0.746629 P\n0.884932 0.936215 0.293593 H\n0.075295 0.124821 0.207118 H\n0.116639 0.023417 0.686326 H\n0.925071 0.855662 0.786537 H\n0.669552 0.729823 0.844941 O\n0.243966 0.346706 0.688911 O\n0.319617 0.286212 0.133877 O\n0.747705 0.662384 0.333977 O\n0.328700 0.738831 0.110788 O\n0.690820 0.280438 0.891007 O\n0.296738 0.650502 0.422202 O\n0.103188 0.878622 0.747141 O\n0.678372 0.339379 0.571255 O\n0.907053 0.103712 0.254526 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P",
"density": 3.0427152812637863,
"density_atomic": 0.1015633930057236,
"volume": 187.0752781854113,
"volume_molar": 5.929440304993181,
"formula_full": "Li1 Mn2 P2 H4 O10",
"formula_reduced": "LiMn2P2(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
"energy_above_hull": 3.191634762250453,
"spacegroup": 1
},
{
"id": "jvasp-115488",
"created_at": "2022-09-04T14:38:42.320604Z",
"updated_at": "2022-09-04T14:38:42.320630Z",
"structure_string": "B1 Pb1 O1\n1.0\n4.233418 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nB Pb O\n1 1 1\ndirect\n0.000000 0.000000 0.224700 B\n0.000000 0.000000 0.732989 Pb\n0.000000 0.000000 -0.026223 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"B",
"Pb",
"O"
],
"chemical_system": "B-O-Pb",
"density": 2.5608303286548306,
"density_atomic": 0.019770506832558536,
"volume": 151.74117818059824,
"volume_molar": 30.460224469726775,
"formula_full": "B1 Pb1 O1",
"formula_reduced": "BPbO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.610048967777778,
"spacegroup": 99
},
{
"id": "jvasp-112572",
"created_at": "2022-09-04T14:38:42.315305Z",
"updated_at": "2022-09-04T14:38:42.315326Z",
"structure_string": "Tb10 Sb2 Pt4\n1.0\n6.948752 -0.091648 -5.221729\n-1.786627 6.715767 -5.221729\n0.071420 0.091648 8.691750\nTb Sb Pt\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 -0.000000 Tb\n0.795694 0.295695 0.812383 Tb\n0.204305 0.704306 0.187616 Tb\n0.483311 0.983312 0.187616 Tb\n0.295694 0.483312 0.500000 Tb\n0.016688 0.204306 0.500000 Tb\n0.516688 0.016688 0.812384 Tb\n0.704305 0.516688 0.500000 Tb\n0.983311 0.795695 0.500000 Tb\n0.250000 0.250000 -0.000000 Sb\n0.749999 0.750000 -0.000000 Sb\n0.139319 0.639320 0.778638 Pt\n0.860681 0.360681 0.221362 Pt\n0.639318 0.860681 0.500000 Pt\n0.360681 0.139319 0.500000 Pt\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tb",
"Sb",
"Pt"
],
"chemical_system": "Pt-Sb-Tb",
"density": 10.559984663645855,
"density_atomic": 0.03893826207582543,
"volume": 410.9068855934764,
"volume_molar": 15.465869401857066,
"formula_full": "Tb10 Sb2 Pt4",
"formula_reduced": "Tb5SbPt2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.9109001125,
"spacegroup": 140
},
{
"id": "jvasp-113126",
"created_at": "2022-09-04T14:38:42.314855Z",
"updated_at": "2022-09-04T14:38:42.314870Z",
"structure_string": "Tb4 Mg2 S8\n1.0\n6.724178 0.015810 -2.535270\n-3.212096 5.907390 -2.535270\n-0.009375 -0.015810 7.186242\nTb Mg S\n4 2 8\ndirect\n0.875000 0.755233 0.380233 Tb\n0.505234 0.125000 0.880233 Tb\n0.375000 0.494767 0.619767 Tb\n0.244767 0.625000 0.119767 Tb\n0.000000 0.000000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.507480 0.378357 0.263662 S\n0.756182 0.492520 0.870876 S\n0.114695 0.243819 0.736338 S\n0.621643 0.885305 0.129124 S\n0.242520 0.006181 0.370876 S\n0.993819 0.364695 0.236338 S\n0.635305 0.871643 0.629124 S\n0.128357 0.757480 0.763662 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"S"
],
"chemical_system": "Mg-S-Tb",
"density": 5.476310389348715,
"density_atomic": 0.049074421655258674,
"volume": 285.2809982835488,
"volume_molar": 12.271445198691783,
"formula_full": "Tb4 Mg2 S8",
"formula_reduced": "Tb2MgS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2758908357142855,
"spacegroup": 122
},
{
"id": "jvasp-116406",
"created_at": "2022-09-04T14:38:42.313989Z",
"updated_at": "2022-09-04T14:38:42.314012Z",
"structure_string": "Zn1 Si1 O1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nZn Si O\n1 1 1\ndirect\n-0.022267 0.299047 0.000000 Zn\n0.272530 -0.024681 0.000000 Si\n-0.054683 -0.059002 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zn",
"Si",
"O"
],
"chemical_system": "O-Si-Zn",
"density": 0.9099764296500868,
"density_atomic": 0.015014551905253628,
"volume": 199.80616264347475,
"volume_molar": 40.10869453848196,
"formula_full": "Zn1 Si1 O1",
"formula_reduced": "ZnSiO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5269008333333334,
"spacegroup": 6
},
{
"id": "jvasp-114891",
"created_at": "2022-09-04T14:38:42.313441Z",
"updated_at": "2022-09-04T14:38:42.313476Z",
"structure_string": "Al1 B1 O4\n1.0\n2.591312 -3.098207 0.000000\n2.591312 3.098207 0.000000\n0.000000 0.000000 3.052186\nAl B O\n1 1 4\ndirect\n0.000000 0.000000 0.019622 Al\n0.500000 0.500000 0.322370 B\n0.297792 0.702209 0.064438 O\n0.761421 0.761421 0.516614 O\n0.702209 0.297792 0.064438 O\n0.238580 0.238580 0.516614 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Al",
"B",
"O"
],
"chemical_system": "Al-B-O",
"density": 3.448924397757882,
"density_atomic": 0.12242782151633988,
"volume": 49.0084682197764,
"volume_molar": 4.918931567524668,
"formula_full": "Al1 B1 O4",
"formula_reduced": "AlBO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.598841563888889,
"spacegroup": 35
},
{
"id": "jvasp-111850",
"created_at": "2022-09-04T14:38:42.312961Z",
"updated_at": "2022-09-04T14:38:42.312980Z",
"structure_string": "Sr6 Ir4 N8\n1.0\n7.364437 0.042641 -0.237745\n-5.903369 7.175533 0.000000\n0.011325 0.009317 5.551675\nSr Ir N\n6 4 8\ndirect\n0.236973 0.967076 0.056230 Sr\n0.763027 0.730102 0.443772 Sr\n0.763027 0.032924 0.943772 Sr\n0.236974 0.269898 0.556230 Sr\n0.000000 0.596677 0.750001 Sr\n0.000000 0.403323 0.250000 Sr\n0.532197 0.379686 0.086184 Ir\n0.467804 0.847490 0.413818 Ir\n0.532197 0.152510 0.586184 Ir\n0.467804 0.620314 0.913818 Ir\n0.328691 0.729823 0.075694 N\n0.214127 0.936973 0.540238 N\n0.785875 0.722847 0.959764 N\n0.785874 0.063026 0.459764 N\n0.214126 0.277152 0.040237 N\n0.671310 0.270177 0.924308 N\n0.328691 0.598868 0.575694 N\n0.671309 0.401131 0.424308 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Ir",
"N"
],
"chemical_system": "Ir-N-Sr",
"density": 7.923246905343684,
"density_atomic": 0.0610580795293314,
"volume": 294.8012800067363,
"volume_molar": 9.862971135715222,
"formula_full": "Sr6 Ir4 N8",
"formula_reduced": "Sr3(IrN2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.666597125555556,
"spacegroup": 15
},
{
"id": "jvasp-114562",
"created_at": "2022-09-04T14:38:42.311232Z",
"updated_at": "2022-09-04T14:38:42.311253Z",
"structure_string": "Ba1 Cl2\n1.0\n7.376410 0.000000 0.000000\n0.000000 4.608153 0.000000\n0.000000 0.000000 4.781280\nBa Cl\n1 2\ndirect\n0.000000 0.450651 0.000000 Ba\n0.253370 0.950674 0.000000 Cl\n0.746630 0.950674 0.000000 Cl\n",
"nsites": 3,
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"elements": [
"Ba",
"Cl"
],
"chemical_system": "Ba-Cl",
"density": 2.1275635338880976,
"density_atomic": 0.018458871189501482,
"volume": 162.5234809432039,
"volume_molar": 32.62464263483839,
"formula_full": "Ba1 Cl2",
"formula_reduced": "BaCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2303833333333333,
"spacegroup": 47
},
{
"id": "jvasp-116271",
"created_at": "2022-09-04T14:38:42.310336Z",
"updated_at": "2022-09-04T14:38:42.310360Z",
"structure_string": "Li2 H2\n1.0\n3.975382 -0.226086 -0.373735\n-0.171359 -3.955297 0.570059\n-0.115442 1.701809 -2.258146\nLi H\n2 2\ndirect\n0.974338 0.124189 0.866716 Li\n0.474268 0.624171 0.866722 Li\n0.974308 0.624092 0.866544 H\n0.474247 0.124113 0.866539 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"H"
],
"chemical_system": "H-Li",
"density": 0.8241453686506276,
"density_atomic": 0.12487500014923546,
"volume": 32.03203199375123,
"volume_molar": 4.822535137379834,
"formula_full": "Li2 H2",
"formula_reduced": "LiH",
"formula_anonymous": "AB",
"energy_above_hull": 0.821115,
"spacegroup": 225
}
]
}