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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=1540",
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{
"id": "jvasp-8677",
"created_at": "2022-09-04T14:37:05.360188Z",
"updated_at": "2022-09-04T14:37:05.360200Z",
"structure_string": "Zn1 B2 Ir2\n1.0\n2.934399 0.000000 -0.670699\n-0.153298 2.930392 -0.670699\n-0.020627 -0.021734 6.664304\nZn B Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250001 0.500000 B\n0.249999 0.750000 0.499999 B\n0.372630 0.372632 0.745263 Ir\n0.627368 0.627369 0.254736 Ir\n",
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"elements": [
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"density": 13.68194042654257,
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"volume": 57.22039613005423,
"volume_molar": 6.891785596762917,
"formula_full": "Zn1 B2 Ir2",
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"spacegroup": 139
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{
"id": "jvasp-76235",
"created_at": "2022-09-04T14:37:05.328896Z",
"updated_at": "2022-09-04T14:37:05.328929Z",
"structure_string": "Tb16 Mg4 Ir4\n1.0\n8.390647 0.000000 4.844342\n2.796883 7.910778 4.844342\n-0.000000 0.000000 9.688685\nTb Mg Ir\n16 4 4\ndirect\n0.811952 0.811952 0.188048 Tb\n0.040562 0.653146 0.653146 Tb\n0.653146 0.040562 0.653146 Tb\n0.188048 0.811952 0.188048 Tb\n0.436438 0.436438 0.063562 Tb\n0.436438 0.063562 0.436438 Tb\n0.063562 0.436438 0.436438 Tb\n0.188048 0.811952 0.811951 Tb\n0.063562 0.063562 0.436438 Tb\n0.811952 0.188048 0.188048 Tb\n0.063562 0.436438 0.063562 Tb\n0.653146 0.653146 0.653146 Tb\n0.653146 0.653146 0.040562 Tb\n0.436438 0.063562 0.063562 Tb\n0.188048 0.188048 0.811951 Tb\n0.811952 0.188048 0.811951 Tb\n0.420209 0.739374 0.420208 Mg\n0.739374 0.420209 0.420208 Mg\n0.420209 0.420209 0.420208 Mg\n0.420209 0.420209 0.739373 Mg\n0.858576 0.858576 0.858575 Ir\n0.858576 0.424273 0.858575 Ir\n0.424273 0.858576 0.858576 Ir\n0.858576 0.858576 0.424273 Ir\n",
"nsites": 24,
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"elements": [
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"chemical_system": "Ir-Mg-Tb",
"density": 8.802034362882875,
"density_atomic": 0.0373191512408289,
"volume": 643.1014426111298,
"volume_molar": 16.136864209847023,
"formula_full": "Tb16 Mg4 Ir4",
"formula_reduced": "Tb4MgIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6794656249999995,
"spacegroup": 216
},
{
"id": "jvasp-50276",
"created_at": "2022-09-04T14:37:05.333186Z",
"updated_at": "2022-09-04T14:37:05.333206Z",
"structure_string": "Tb2 Nb2 O8\n1.0\n-3.665118 3.665118 3.361839\n3.665118 -3.665118 3.361839\n3.665118 3.665118 -3.361839\nTb Nb O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.250000 0.500000 Tb\n0.500000 0.500000 0.000000 Nb\n0.250000 0.750000 0.500000 Nb\n0.508841 0.316538 0.192302 O\n0.683462 0.875765 0.192302 O\n0.066538 0.374236 0.307698 O\n0.683462 0.491159 0.807699 O\n0.124236 0.316539 0.807699 O\n0.241159 0.933462 0.307698 O\n0.625765 0.933462 0.692302 O\n0.066538 0.758842 0.692302 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Nb",
"O"
],
"chemical_system": "Nb-O-Tb",
"density": 5.80655744297931,
"density_atomic": 0.06643063758150247,
"volume": 180.6395427904396,
"volume_molar": 9.065306279217253,
"formula_full": "Tb2 Nb2 O8",
"formula_reduced": "TbNbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.5273003000000003,
"spacegroup": 141
},
{
"id": "jvasp-29406",
"created_at": "2022-09-04T14:37:05.369071Z",
"updated_at": "2022-09-04T14:37:05.369081Z",
"structure_string": "Mn1 Sb2 F12\n1.0\n5.067867 0.006711 0.044561\n2.483878 4.714904 1.498224\n-0.050496 0.017323 8.711486\nMn Sb F\n1 2 12\ndirect\n0.500000 0.499999 0.500000 Mn\n0.760231 0.014068 0.230201 Sb\n0.239770 0.985930 0.769800 Sb\n0.950565 0.244024 0.211711 F\n0.049436 0.755975 0.788289 F\n0.035112 0.759853 0.129843 F\n0.497154 0.769739 0.632461 F\n0.502847 0.230259 0.367539 F\n0.965466 0.237451 0.565219 F\n0.034535 0.762547 0.434781 F\n0.430442 0.231718 0.701287 F\n0.569559 0.768280 0.298713 F\n0.533566 0.758848 0.950798 F\n0.466435 0.241150 0.049202 F\n0.964888 0.240145 0.870157 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
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"Sb",
"F"
],
"chemical_system": "F-Mn-Sb",
"density": 4.204936297101039,
"density_atomic": 0.07215287208606282,
"volume": 207.89193231432608,
"volume_molar": 8.34636319510176,
"formula_full": "Mn1 Sb2 F12",
"formula_reduced": "MnSb2F12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.3138088554252873,
"spacegroup": 2
},
{
"id": "jvasp-81605",
"created_at": "2022-09-04T14:37:05.398125Z",
"updated_at": "2022-09-04T14:37:05.398145Z",
"structure_string": "Na1 Sr2 Cd1\n1.0\n-13.795049 3.166392 -2.793875\n-10.128987 0.614531 1.044536\n-8.428988 5.422865 -1.899957\nNa Sr Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.749994 0.000004 0.000004 Sr\n0.250008 0.999995 0.999995 Sr\n0.500001 -0.000001 -0.000001 Cd\n",
"nsites": 4,
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"elements": [
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"Sr",
"Cd"
],
"chemical_system": "Cd-Na-Sr",
"density": 3.5716581266422045,
"density_atomic": 0.027696336243982052,
"volume": 144.42343437641983,
"volume_molar": 21.743456271435576,
"formula_full": "Na1 Sr2 Cd1",
"formula_reduced": "NaSr2Cd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-81940",
"created_at": "2022-09-04T14:37:05.398840Z",
"updated_at": "2022-09-04T14:37:05.398849Z",
"structure_string": "Sc1 Hg1 Au2\n1.0\n-10.948257 4.017903 0.108906\n-7.673162 1.393383 2.472589\n-6.309814 5.253351 0.069641\nSc Hg Au\n1 1 2\ndirect\n0.000000 0.000001 0.999999 Sc\n0.500000 0.000001 -0.000000 Hg\n0.750389 -0.000264 -0.000262 Au\n0.249611 0.000266 0.000262 Au\n",
"nsites": 4,
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"elements": [
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"Hg",
"Au"
],
"chemical_system": "Au-Hg-Sc",
"density": 13.758914260023381,
"density_atomic": 0.05182851160316576,
"volume": 77.1775973546513,
"volume_molar": 11.619358869707845,
"formula_full": "Sc1 Hg1 Au2",
"formula_reduced": "ScHgAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3290912475,
"spacegroup": 139
},
{
"id": "jvasp-85209",
"created_at": "2022-09-04T14:37:05.436784Z",
"updated_at": "2022-09-04T14:37:05.436801Z",
"structure_string": "Li4 La4 O8\n1.0\n5.730189 0.000000 -1.242031\n0.000000 6.218682 0.000000\n0.033747 0.000000 5.887047\nLi La O\n4 4 8\ndirect\n0.665213 0.357181 0.690251 Li\n0.334788 0.857180 0.809750 Li\n0.334788 0.642819 0.309749 Li\n0.665212 0.142819 0.190251 Li\n0.201679 0.429190 0.801785 La\n0.798322 0.929190 0.698216 La\n0.798322 0.570809 0.198216 La\n0.201678 0.070810 0.301784 La\n0.906877 0.238446 0.985895 O\n0.093124 0.738445 0.514106 O\n0.093124 0.761554 0.014106 O\n0.906876 0.261554 0.485895 O\n0.425648 0.371491 0.204925 O\n0.574353 0.871491 0.295075 O\n0.574353 0.628508 0.795075 O\n0.425648 0.128508 0.704926 O\n",
"nsites": 16,
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"elements": [
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"La",
"O"
],
"chemical_system": "La-Li-O",
"density": 5.6240260957747905,
"density_atomic": 0.07617560320468084,
"volume": 210.0410016709501,
"volume_molar": 7.905602983961605,
"formula_full": "Li4 La4 O8",
"formula_reduced": "LiLaO2",
"formula_anonymous": "ABC2",
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"spacegroup": 14
},
{
"id": "jvasp-7790",
"created_at": "2022-09-04T14:37:05.527379Z",
"updated_at": "2022-09-04T14:37:05.527405Z",
"structure_string": "Zn1 Pd1 F6\n1.0\n4.414196 0.010922 3.141506\n1.625995 4.103826 3.141506\n0.016032 0.010922 5.417927\nZn Pd F\n1 1 6\ndirect\n0.500000 0.500000 0.500001 Zn\n0.000000 0.000000 0.000000 Pd\n0.398506 0.087119 0.759839 F\n0.087118 0.759839 0.398507 F\n0.240161 0.601494 0.912882 F\n0.912881 0.240161 0.601496 F\n0.601493 0.912881 0.240163 F\n0.759838 0.398506 0.087120 F\n",
"nsites": 8,
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],
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"density": 4.855477538117987,
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"volume": 97.74822514336776,
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"formula_full": "Zn1 Pd1 F6",
"formula_reduced": "ZnPdF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-81952",
"created_at": "2022-09-04T14:37:05.724685Z",
"updated_at": "2022-09-04T14:37:05.724696Z",
"structure_string": "Hf1 Sc1 Tl2\n1.0\n-10.348483 0.000000 -5.974698\n-6.787715 0.307187 -0.192730\n-5.856875 2.940000 -1.804993\nHf Sc Tl\n1 1 2\ndirect\n0.500000 -0.000000 -0.000000 Hf\n0.000000 0.000000 0.000000 Sc\n0.750079 -0.000001 -0.000000 Tl\n0.249922 -0.000000 -0.000000 Tl\n",
"nsites": 4,
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"elements": [
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],
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"density": 9.688634653765096,
"density_atomic": 0.03691563869419307,
"volume": 108.35516170086503,
"volume_molar": 16.313250895879253,
"formula_full": "Hf1 Sc1 Tl2",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-30366",
"created_at": "2022-09-04T14:37:05.801061Z",
"updated_at": "2022-09-04T14:37:05.801085Z",
"structure_string": "Fe3 O1 F7\n1.0\n5.500543 -0.102413 0.073126\n2.554241 4.872609 0.073126\n-2.554241 -1.512670 4.632439\nFe O F\n3 1 7\ndirect\n0.382195 0.382195 0.127342 Fe\n0.382195 0.872659 0.617807 Fe\n0.872658 0.382196 0.617807 Fe\n0.605118 0.605119 0.394883 O\n0.132108 0.132108 0.867893 F\n0.129085 0.129086 0.405850 F\n0.129086 0.594151 0.870915 F\n0.157820 0.624088 0.375913 F\n0.594150 0.129086 0.870915 F\n0.624087 0.157821 0.375913 F\n0.624088 0.624089 0.842181 F\n",
"nsites": 11,
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"elements": [
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"O",
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],
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"density": 4.150814724995005,
"density_atomic": 0.08687030732808206,
"volume": 126.62554488792622,
"volume_molar": 6.932335046607183,
"formula_full": "Fe3 O1 F7",
"formula_reduced": "Fe3OF7",
"formula_anonymous": "AB3C7",
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"spacegroup": 160
},
{
"id": "jvasp-2778",
"created_at": "2022-09-04T14:37:05.807403Z",
"updated_at": "2022-09-04T14:37:05.807423Z",
"structure_string": "Sr4 P2 O1\n1.0\n4.624861 -0.000000 -1.328562\n-0.381650 4.609087 -1.328562\n-0.010660 -0.011579 8.676979\nSr P O\n4 2 1\ndirect\n0.675096 0.675097 0.350193 Sr\n0.324904 0.324904 0.649808 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.864765 0.864765 0.729531 P\n0.135235 0.135235 0.270470 P\n0.500000 0.500000 0.000000 O\n",
"nsites": 7,
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"volume": 184.81954653605715,
"volume_molar": 15.900133206278664,
"formula_full": "Sr4 P2 O1",
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"formula_anonymous": "AB2C4",
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"spacegroup": 139
},
{
"id": "jvasp-8259",
"created_at": "2022-09-04T14:37:05.392310Z",
"updated_at": "2022-09-04T14:37:05.392343Z",
"structure_string": "Al2 Cu2 O4\n1.0\n1.437927 -2.490561 -0.000000\n1.437927 2.490561 -0.000000\n-0.000000 -0.000000 11.397503\nAl Cu O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.666668 0.333334 0.750000 Cu\n0.333334 0.666668 0.250000 Cu\n0.333334 0.666668 0.415016 O\n0.666668 0.333334 0.915016 O\n0.333334 0.666668 0.084984 O\n0.666668 0.333334 0.584984 O\n",
"nsites": 8,
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],
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"volume": 81.63449914360581,
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"formula_full": "Al2 Cu2 O4",
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"formula_anonymous": "ABC2",
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"spacegroup": 194
}
]
}