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=1183",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=1181",
"results": [
{
"id": "jvasp-44685",
"created_at": "2022-09-04T14:38:08.474705Z",
"updated_at": "2022-09-04T14:38:08.474725Z",
"structure_string": "Co4 Ni1 O8\n1.0\n5.641689 -0.007877 -0.063721\n-2.813496 4.918846 0.079307\n-2.769411 -1.512030 4.665766\nCo Ni O\n4 1 8\ndirect\n0.000000 0.500001 0.500001 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500001 0.000000 Co\n0.500000 -0.000000 0.000000 Ni\n0.535295 0.274834 0.795666 O\n0.033756 0.764271 0.787659 O\n0.518264 0.764267 0.787673 O\n0.032354 0.276862 0.787758 O\n0.967647 0.723139 0.212244 O\n0.481737 0.235734 0.212329 O\n0.966245 0.235730 0.212342 O\n0.464706 0.725167 0.204336 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Ni-O",
"density": 5.4412217039267565,
"density_atomic": 0.10084277439830146,
"volume": 128.91354960796244,
"volume_molar": 5.971811858541481,
"formula_full": "Co4 Ni1 O8",
"formula_reduced": "Co4NiO8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.085598,
"spacegroup": 12
},
{
"id": "jvasp-9465",
"created_at": "2022-09-04T14:38:14.336358Z",
"updated_at": "2022-09-04T14:38:14.336386Z",
"structure_string": "Ba2 Y1 Tl1 Fe2 O7\n1.0\n3.908135 0.000000 0.000000\n0.000000 3.908135 -0.000000\n-0.000000 0.000000 13.025072\nBa Y Tl Fe O\n2 1 1 2 7\ndirect\n0.500001 0.500001 0.201105 Ba\n0.500001 0.500001 0.798837 Ba\n0.500001 0.500001 0.500008 Y\n0.000000 0.000000 -0.000045 Tl\n0.000000 0.000000 0.361062 Fe\n0.000000 0.000000 0.638959 Fe\n0.000000 0.000000 0.215650 O\n0.500001 0.000000 0.391940 O\n0.000000 0.500001 0.391940 O\n0.000000 0.500001 0.608108 O\n0.500001 0.500001 -0.000029 O\n0.500001 0.000000 0.608108 O\n0.000000 0.000000 0.784381 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Tl",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O-Tl-Y",
"density": 6.607718275501593,
"density_atomic": 0.06534676686927694,
"volume": 198.93868698976146,
"volume_molar": 9.215667505091725,
"formula_full": "Ba2 Y1 Tl1 Fe2 O7",
"formula_reduced": "Ba2YTlFe2O7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": 2.239873499230769,
"spacegroup": 123
},
{
"id": "jvasp-9471",
"created_at": "2022-09-04T14:38:30.135010Z",
"updated_at": "2022-09-04T14:38:30.135033Z",
"structure_string": "Zn1 Co4 O8\n1.0\n2.769834 -0.000024 0.568134\n1.257071 6.155371 0.907972\n-0.005535 0.548893 7.061999\nZn Co O\n1 4 8\ndirect\n0.423652 0.052851 0.100289 Zn\n0.624992 0.180011 0.570108 Co\n0.143699 0.510719 0.202009 Co\n0.831599 0.484714 0.852202 Co\n0.352067 0.804372 0.491580 Co\n0.876207 0.641160 0.606525 O\n0.451690 0.288716 0.808035 O\n0.526333 0.698850 0.248591 O\n0.098258 0.350412 0.453166 O\n0.165545 -0.005907 0.674935 O\n0.777882 0.332237 0.112144 O\n0.817387 0.993939 0.371328 O\n0.208172 0.644035 0.939730 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zn",
"Co",
"O"
],
"chemical_system": "Co-O-Zn",
"density": 5.966480165646317,
"density_atomic": 0.1088470129868402,
"volume": 119.43368626543499,
"volume_molar": 5.532665155200987,
"formula_full": "Zn1 Co4 O8",
"formula_reduced": "Zn(CoO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.825862461538462,
"spacegroup": 8
},
{
"id": "jvasp-11092",
"created_at": "2022-09-04T14:38:14.849251Z",
"updated_at": "2022-09-04T14:38:14.849275Z",
"structure_string": "Mg1 Ti4 S8\n1.0\n6.984383 0.029454 0.020827\n3.517700 6.092834 0.000000\n3.517700 2.030945 5.744380\nMg Ti S\n1 4 8\ndirect\n0.500000 -0.000000 0.000000 Mg\n0.000000 0.499999 0.500000 Ti\n0.500000 0.499999 0.000000 Ti\n0.500000 0.499999 0.500000 Ti\n0.500000 -0.000001 0.500000 Ti\n0.248734 0.253887 0.253888 S\n0.248734 0.253887 0.743491 S\n0.248734 0.743490 0.253888 S\n0.739830 0.253389 0.253390 S\n0.260171 0.746609 0.746610 S\n0.751266 0.746111 0.256510 S\n0.751266 0.256508 0.746113 S\n0.751267 0.746111 0.746113 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"S"
],
"chemical_system": "Mg-S-Ti",
"density": 3.2200236021340394,
"density_atomic": 0.0533754809113349,
"volume": 243.557524504464,
"volume_molar": 11.282597659407934,
"formula_full": "Mg1 Ti4 S8",
"formula_reduced": "Mg(TiS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.685540183333333,
"spacegroup": 166
},
{
"id": "jvasp-12760",
"created_at": "2022-09-04T14:38:08.266538Z",
"updated_at": "2022-09-04T14:38:08.266554Z",
"structure_string": "Mo8 P5\n1.0\n0.000000 6.598964 0.000629\n3.219544 0.000000 0.000000\n0.000000 -3.150402 -8.932809\nMo P\n8 5\ndirect\n0.994001 0.000000 0.995931 Mo\n0.763867 0.000000 0.220144 Mo\n0.210549 0.000000 0.750858 Mo\n0.640394 0.000000 0.694664 Mo\n0.199583 0.000000 0.428850 Mo\n0.603304 0.499999 0.949103 Mo\n0.391603 0.499999 0.218869 Mo\n0.871236 0.499999 0.502877 Mo\n0.575839 0.000000 0.425694 P\n0.374928 0.000000 0.018315 P\n0.938207 0.499999 0.790471 P\n0.347219 0.499999 0.623148 P\n0.021969 0.499999 0.210776 P\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Mo",
"P"
],
"chemical_system": "Mo-P",
"density": 8.070855111260364,
"density_atomic": 0.06850145245743318,
"volume": 189.77699791224433,
"volume_molar": 8.79125995721355,
"formula_full": "Mo8 P5",
"formula_reduced": "Mo8P5",
"formula_anonymous": "A5B8",
"energy_above_hull": 5.899914207692308,
"spacegroup": 6
},
{
"id": "jvasp-47329",
"created_at": "2022-09-04T14:38:07.958327Z",
"updated_at": "2022-09-04T14:38:07.958357Z",
"structure_string": "Li4 V1 F8\n1.0\n0.000000 4.988412 -0.032994\n6.038127 0.000000 0.000000\n0.000000 -1.881738 -4.800158\nLi V F\n4 1 8\ndirect\n-0.000000 0.821947 0.500000 Li\n0.500000 0.006677 0.500000 Li\n0.500000 0.767388 -0.000000 Li\n0.500000 0.203514 -0.000000 Li\n0.500000 0.493669 0.500000 V\n0.708697 0.512912 0.264071 F\n0.702949 0.982427 0.257409 F\n0.739544 0.722045 0.712781 F\n0.714675 0.272778 0.730296 F\n0.285324 0.272778 0.269704 F\n0.260455 0.722045 0.287219 F\n0.297050 0.982427 0.742591 F\n0.291302 0.512912 0.735928 F\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.6426418365823605,
"density_atomic": 0.08968063213503696,
"volume": 144.95883548663215,
"volume_molar": 6.715096243893708,
"formula_full": "Li4 V1 F8",
"formula_reduced": "Li4VF8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 0.3295335738461539,
"spacegroup": 3
},
{
"id": "jvasp-119311",
"created_at": "2022-09-04T14:38:30.222356Z",
"updated_at": "2022-09-04T14:38:30.222379Z",
"structure_string": "Ba1 Y1 Fe4 O7\n1.0\n5.515790 -0.000000 3.184543\n1.838597 5.200336 3.184543\n-0.000000 -0.000000 6.369085\nBa Y Fe O\n1 1 4 7\ndirect\n0.750000 0.750001 0.749999 Ba\n0.000000 0.000000 0.000000 Y\n0.379515 0.379515 0.861457 Fe\n0.379515 0.861457 0.379514 Fe\n0.861457 0.379515 0.379514 Fe\n0.379515 0.379515 0.379514 Fe\n0.751055 0.751056 0.248944 O\n0.248945 0.751056 0.248944 O\n0.751055 0.248945 0.248945 O\n0.248945 0.248945 0.751055 O\n0.751055 0.248945 0.751055 O\n0.248945 0.751056 0.751055 O\n0.250000 0.250000 0.250000 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O-Y",
"density": 5.104658730654081,
"density_atomic": 0.07115856467648922,
"volume": 182.69058769105834,
"volume_molar": 8.46298795848213,
"formula_full": "Ba1 Y1 Fe4 O7",
"formula_reduced": "BaYFe4O7",
"formula_anonymous": "ABC4D7",
"energy_above_hull": 2.992149070769231,
"spacegroup": 216
},
{
"id": "jvasp-24272",
"created_at": "2022-09-04T14:38:27.115852Z",
"updated_at": "2022-09-04T14:38:27.115871Z",
"structure_string": "Nd2 Ta2 Cl2 O7\n1.0\n-3.945806 -0.000002 -0.000114\n-0.000076 -6.955380 0.012971\n1.972862 3.128729 7.061052\nNd Ta Cl O\n2 2 2 7\ndirect\n0.307954 0.834215 0.615905 Nd\n0.692049 0.165784 0.384095 Nd\n0.965491 0.201845 0.930974 Ta\n0.034512 0.798154 0.069026 Ta\n0.677672 0.565906 0.355343 Cl\n0.322331 0.434093 0.644657 Cl\n0.455481 0.163108 0.910958 O\n0.544522 0.836891 0.089042 O\n0.918068 0.846777 0.836138 O\n0.000000 0.500000 -0.000000 O\n0.824992 0.069779 0.649984 O\n0.081934 0.153222 0.163862 O\n0.175010 0.930221 0.350017 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Nd",
"Ta",
"Cl",
"O"
],
"chemical_system": "Cl-Nd-O-Ta",
"density": 7.134436064866297,
"density_atomic": 0.06702890642737956,
"volume": 193.94617476095118,
"volume_molar": 8.984393571338519,
"formula_full": "Nd2 Ta2 Cl2 O7",
"formula_reduced": "Nd2Ta2Cl2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.947288771923077,
"spacegroup": 12
},
{
"id": "jvasp-42543",
"created_at": "2022-09-04T14:38:17.734649Z",
"updated_at": "2022-09-04T14:38:17.734672Z",
"structure_string": "Li2 Fe3 O3 F5\n1.0\n5.853781 0.000557 0.000506\n-2.926549 -5.085777 0.048397\n-2.926555 1.661896 -4.780917\nLi Fe O F\n2 3 3 5\ndirect\n0.741360 0.626644 0.377119 Li\n0.262404 0.626646 0.377117 Li\n0.225844 0.585070 0.866616 Fe\n0.507799 0.253107 0.762510 Fe\n0.764507 0.149663 0.379351 Fe\n0.754600 0.365209 0.610349 O\n0.755817 0.360863 0.150770 O\n0.220966 0.365220 0.610350 O\n0.230262 0.845319 0.615201 F\n0.723948 0.882045 0.136290 F\n0.278295 0.411629 0.144964 F\n0.739813 0.896556 0.583075 F\n0.294376 0.882025 0.136284 F\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.797766831278571,
"density_atomic": 0.09164991068317992,
"volume": 141.84410986431905,
"volume_molar": 6.570809196767952,
"formula_full": "Li2 Fe3 O3 F5",
"formula_reduced": "Li2Fe3O3F5",
"formula_anonymous": "A2B3C3D5",
"energy_above_hull": 1.5582706471153838,
"spacegroup": 8
},
{
"id": "jvasp-46519",
"created_at": "2022-09-04T14:38:15.141367Z",
"updated_at": "2022-09-04T14:38:15.141398Z",
"structure_string": "Li1 Mn4 O8\n1.0\n2.881545 0.001027 0.000690\n-1.438026 -6.926490 -0.276630\n-1.439314 -0.105472 -6.666195\nLi Mn O\n1 4 8\ndirect\n-0.016871 -0.057907 -0.041285 Li\n0.392387 0.533945 0.185243 Mn\n0.202549 0.824859 0.514691 Mn\n0.870748 0.185134 0.490792 Mn\n0.680795 0.474762 0.821256 Mn\n0.878879 0.662483 0.029738 O\n0.581673 0.737881 0.359904 O\n0.836657 0.945461 0.662285 O\n0.894471 0.405908 0.317424 O\n0.180625 0.605541 0.690171 O\n0.240188 0.063832 0.350987 O\n0.492798 0.273569 0.646457 O\n0.197607 0.354179 0.975421 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.430032288844422,
"density_atomic": 0.0977809350032307,
"volume": 132.9502525167148,
"volume_molar": 6.15880872871693,
"formula_full": "Li1 Mn4 O8",
"formula_reduced": "LiMn4O8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.3460205358090187,
"spacegroup": 8
},
{
"id": "jvasp-21073",
"created_at": "2022-09-04T14:38:30.159347Z",
"updated_at": "2022-09-04T14:38:30.159371Z",
"structure_string": "K1 Ru4 O8\n1.0\n3.090725 0.000000 0.693565\n1.545362 6.987881 0.346782\n0.015317 -0.000000 7.165099\nK Ru O\n1 4 8\ndirect\n0.499999 -0.000000 0.000000 K\n0.167846 0.480284 0.184025 Ru\n0.832153 0.519716 0.815976 Ru\n0.351870 0.815975 0.480284 Ru\n0.648129 0.184025 0.519716 Ru\n0.453026 0.389924 0.704023 O\n0.157049 0.295977 0.389924 O\n0.842950 0.704023 0.610076 O\n0.546973 0.610075 0.295977 O\n0.851439 0.949763 0.347356 O\n0.148560 0.050237 0.652644 O\n0.801202 0.347356 0.050237 O\n0.198797 0.652644 0.949763 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"K",
"Ru",
"O"
],
"chemical_system": "K-O-Ru",
"density": 6.134081131098264,
"density_atomic": 0.08404728259667171,
"volume": 154.67484014188463,
"volume_molar": 7.1651819951148275,
"formula_full": "K1 Ru4 O8",
"formula_reduced": "K(RuO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.338008307692308,
"spacegroup": 87
},
{
"id": "jvasp-9266",
"created_at": "2022-09-04T14:38:28.623346Z",
"updated_at": "2022-09-04T14:38:28.623368Z",
"structure_string": "Mg1 Mo4 O8\n1.0\n2.797382 -0.007465 -0.008666\n-1.378272 7.414375 0.189789\n-1.377138 -0.750903 7.559524\nMg Mo O\n1 4 8\ndirect\n0.449251 0.103786 0.806729 Mg\n0.808446 0.194888 0.433980 Mo\n0.653955 0.486895 0.833021 Mo\n0.307748 0.506364 0.121103 Mo\n0.143742 0.789371 0.510080 Mo\n0.504275 0.665508 0.355013 O\n0.793423 0.348103 0.250750 O\n0.165742 0.639241 0.704171 O\n0.446792 0.299711 0.605880 O\n0.178419 0.006987 0.361793 O\n0.095838 0.285986 0.917697 O\n0.811861 0.978697 0.657013 O\n0.853548 0.685101 0.033973 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-O",
"density": 5.669151333996158,
"density_atomic": 0.0827939763767657,
"volume": 157.0162537047582,
"volume_molar": 7.273646010907118,
"formula_full": "Mg1 Mo4 O8",
"formula_reduced": "Mg(MoO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.850408511538462,
"spacegroup": 8
}
]
}