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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=175",
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"results": [
{
"id": "jvasp-119309",
"created_at": "2022-09-04T14:38:50.494179Z",
"updated_at": "2022-09-04T14:38:50.494209Z",
"structure_string": "Rb6 Mn6 O12\n1.0\n6.530789 -0.012938 0.156892\n1.457740 7.393846 1.686464\n-0.036795 -0.004073 8.516458\nRb Mn O\n6 6 12\ndirect\n0.159044 0.112693 0.118504 Rb\n0.840960 0.887310 0.881501 Rb\n0.822217 0.874215 0.468743 Rb\n0.177781 0.125785 0.531256 Rb\n0.017332 0.456959 0.764753 Rb\n0.982668 0.543043 0.235240 Rb\n0.597753 0.320595 0.117749 Mn\n0.400050 0.675037 0.549944 Mn\n0.402246 0.679403 0.882251 Mn\n0.582931 0.318951 0.785078 Mn\n0.417070 0.681050 0.214922 Mn\n0.599950 0.324964 0.450057 Mn\n0.603274 0.629192 0.721958 O\n0.227313 0.779082 0.362542 O\n0.772690 0.220925 0.637456 O\n0.791146 0.237011 0.298593 O\n0.208852 0.762987 0.701407 O\n0.226132 0.770909 0.037020 O\n0.773874 0.229093 0.962980 O\n0.611191 0.615618 0.394841 O\n0.388808 0.384381 0.605158 O\n0.387992 0.381842 0.945011 O\n0.612011 0.618152 0.054988 O\n0.396725 0.370812 0.278042 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"O"
],
"chemical_system": "Mn-O-Rb",
"density": 4.17438387992065,
"density_atomic": 0.058324942045139216,
"volume": 411.48776421287766,
"volume_molar": 10.325155154615167,
"formula_full": "Rb6 Mn6 O12",
"formula_reduced": "RbMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5793510603448275,
"spacegroup": 2
},
{
"id": "jvasp-119279",
"created_at": "2022-09-04T14:38:50.519522Z",
"updated_at": "2022-09-04T14:38:50.519553Z",
"structure_string": "Li4 Fe6 Te2 O16\n1.0\n5.866439 -0.093361 -0.014109\n2.806306 4.996156 -1.610272\n-0.055061 0.105373 10.127893\nLi Fe Te O\n4 6 2 16\ndirect\n0.292636 0.404785 0.570654 Li\n0.795741 0.396512 0.071112 Li\n0.207293 0.595270 0.929347 Li\n0.704338 0.603423 0.428886 Li\n0.250054 0.999963 0.250000 Fe\n0.749951 0.000039 0.749997 Fe\n0.495778 -0.003839 0.002135 Fe\n0.750051 0.999957 0.249998 Fe\n0.249945 0.000061 0.750008 Fe\n0.004238 0.003818 0.497867 Fe\n0.749945 0.500036 0.749990 Te\n0.250048 0.499969 0.250006 Te\n0.095749 0.263577 0.635759 O\n0.356161 0.758671 0.366449 O\n0.857741 0.756153 0.865298 O\n0.896406 0.749754 0.359136 O\n0.404150 0.736495 0.864230 O\n0.603694 0.250174 0.140872 O\n0.143923 0.241275 0.133564 O\n0.595824 0.805390 0.145925 O\n0.352425 0.252249 0.365372 O\n0.868818 0.244246 0.862483 O\n0.904278 0.194531 0.354068 O\n0.424579 0.188334 0.859388 O\n0.631079 0.755836 0.637505 O\n0.075325 0.811745 0.640621 O\n0.642162 0.243911 0.634691 O\n0.147677 0.747674 0.134635 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Te",
"O"
],
"chemical_system": "Fe-Li-O-Te",
"density": 4.830150444102335,
"density_atomic": 0.09318500542313939,
"volume": 300.47752718214826,
"volume_molar": 6.462564156812939,
"formula_full": "Li4 Fe6 Te2 O16",
"formula_reduced": "Li2Fe3TeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.706953733333333,
"spacegroup": 2
},
{
"id": "jvasp-116337",
"created_at": "2022-09-04T14:38:50.579879Z",
"updated_at": "2022-09-04T14:38:50.579900Z",
"structure_string": "Mn1 F3\n1.0\n3.792050 0.114916 -0.538043\n0.217032 -2.936050 0.242208\n1.306798 -2.262745 -4.232863\nMn F\n1 3\ndirect\n0.411718 0.100903 0.897731 Mn\n0.911698 0.100931 0.897747 F\n0.553989 -0.225376 0.597893 F\n0.269340 0.427229 0.197580 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 3.909154202998719,
"density_atomic": 0.08412683774903597,
"volume": 47.54725254184224,
"volume_molar": 7.158406188956043,
"formula_full": "Mn1 F3",
"formula_reduced": "MnF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3464820222198276,
"spacegroup": 2
},
{
"id": "jvasp-111659",
"created_at": "2022-09-04T14:38:50.682525Z",
"updated_at": "2022-09-04T14:38:50.682554Z",
"structure_string": "Li2 Mn3 F8\n1.0\n5.325446 -0.103213 0.013490\n-2.669401 4.886282 -1.792371\n-0.005468 -0.025685 5.960595\nLi Mn F\n2 3 8\ndirect\n0.459914 0.911966 0.257183 Li\n0.540087 0.088033 0.742818 Li\n0.000000 0.000000 0.000000 Mn\n0.227971 0.466795 0.653387 Mn\n0.772029 0.533204 0.346613 Mn\n0.219724 0.767329 0.953130 F\n0.223918 0.743561 0.465540 F\n0.312932 0.247637 0.323785 F\n0.290308 0.233133 0.817294 F\n0.709693 0.766866 0.182706 F\n0.687068 0.752362 0.676215 F\n0.776082 0.256438 0.534460 F\n0.780277 0.232670 0.046871 F\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.583882275178361,
"density_atomic": 0.08484683518910367,
"volume": 153.21726462779728,
"volume_molar": 7.097661034236648,
"formula_full": "Li2 Mn3 F8",
"formula_reduced": "Li2Mn3F8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.0186564603183024,
"spacegroup": 2
},
{
"id": "jvasp-118986",
"created_at": "2022-09-04T14:38:50.733823Z",
"updated_at": "2022-09-04T14:38:50.733851Z",
"structure_string": "Li7 Co5 O12\n1.0\n5.087273 0.003130 -2.503311\n-1.931158 5.997825 -0.708738\n-0.036495 0.031784 6.340154\nLi Co O\n7 5 12\ndirect\n0.747918 -0.000978 0.496181 Li\n0.255403 0.325409 0.834764 Li\n0.258707 0.677694 0.164591 Li\n0.741291 0.322306 0.835407 Li\n0.252080 0.000977 0.503818 Li\n0.744595 0.674592 0.165235 Li\n0.500000 0.000000 -0.000000 Li\n0.995401 0.330674 0.329738 Co\n0.004597 0.669326 0.670260 Co\n0.500508 0.669337 0.670997 Co\n0.000000 0.000000 0.000000 Co\n0.499490 0.330663 0.329002 Co\n0.889680 0.017490 0.242376 O\n0.110318 0.982510 0.757623 O\n0.641235 0.339930 0.110394 O\n0.629729 0.651597 0.435525 O\n0.128804 0.319572 0.099149 O\n0.638659 0.982713 0.757860 O\n0.132642 0.652681 0.436882 O\n0.361339 0.017287 0.242138 O\n0.867356 0.347319 0.563116 O\n0.871194 0.680428 0.900850 O\n0.370269 0.348403 0.564474 O\n0.358763 0.660070 0.889604 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.600083739091861,
"density_atomic": 0.12421516882783791,
"volume": 193.2131174193707,
"volume_molar": 4.8481524574077435,
"formula_full": "Li7 Co5 O12",
"formula_reduced": "Li7Co5O12",
"formula_anonymous": "A5B7C12",
"energy_above_hull": 2.5958056875,
"spacegroup": 2
},
{
"id": "jvasp-117125",
"created_at": "2022-09-04T14:38:50.765865Z",
"updated_at": "2022-09-04T14:38:50.765891Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.866194 -0.007824 1.047812\n1.432878 5.361012 1.051533\n0.019596 -0.060456 7.499927\nLi Mn Co O\n7 2 3 12\ndirect\n0.500628 0.651944 0.848802 Li\n0.507168 0.825974 0.158784 Li\n0.499373 0.348055 0.151198 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.492833 0.174026 0.841216 Li\n0.000000 0.500000 -0.000000 Li\n-0.002234 0.827077 0.674589 Mn\n0.002235 0.172922 0.325411 Mn\n-0.003085 0.333695 0.668793 Co\n0.003087 0.666303 0.331207 Co\n0.000000 0.000000 0.000000 Co\n0.218909 0.006938 0.753459 O\n0.779409 0.660967 0.582062 O\n0.769598 0.842191 0.905113 O\n0.773330 0.318550 0.907519 O\n0.770577 0.489505 0.261360 O\n0.781091 -0.006938 0.246541 O\n0.776752 0.156553 0.577675 O\n0.226671 0.681450 0.092480 O\n0.223248 0.843447 0.422325 O\n0.220592 0.339033 0.417938 O\n0.229423 0.510495 0.738640 O\n0.230402 0.157809 0.094887 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.470437708020523,
"density_atomic": 0.12254372958375781,
"volume": 195.84845411120088,
"volume_molar": 4.914278992858551,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.6897182992816093,
"spacegroup": 2
},
{
"id": "jvasp-119103",
"created_at": "2022-09-04T14:38:51.040646Z",
"updated_at": "2022-09-04T14:38:51.040679Z",
"structure_string": "Fe2 P2 H6 C2 O14\n1.0\n4.771358 0.069725 -1.493913\n-1.882365 7.316630 -0.843892\n0.067134 0.054965 7.596826\nFe P H C O\n2 2 6 2 14\ndirect\n0.466263 0.700097 0.743188 Fe\n0.533736 0.299903 0.256813 Fe\n0.856458 0.713383 0.452124 P\n0.143540 0.286617 0.547876 P\n0.041178 0.328549 0.040441 H\n0.756291 0.602771 0.080825 H\n0.958821 0.671451 0.959560 H\n0.247059 0.017769 0.602809 H\n0.752939 0.982231 0.397192 H\n0.243707 0.397230 0.919176 H\n0.625733 0.052799 0.973943 C\n0.374265 0.947201 0.026058 C\n0.273408 0.146664 0.665092 O\n0.293116 0.029112 0.146764 O\n0.706882 0.970888 0.853236 O\n0.199063 0.457415 0.694131 O\n0.800936 0.542585 0.305870 O\n0.726591 0.853337 0.334909 O\n0.706273 0.670998 0.597103 O\n0.270108 0.783961 0.940603 O\n0.242767 0.383845 0.047436 O\n0.757232 0.616155 0.952565 O\n0.293726 0.329003 0.402898 O\n0.181897 0.795552 0.549255 O\n0.729891 0.216039 0.059398 O\n0.818102 0.204448 0.450746 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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"P",
"H",
"C",
"O"
],
"chemical_system": "C-Fe-H-O-P",
"density": 2.656876127720384,
"density_atomic": 0.097265353877501,
"volume": 267.30998205944127,
"volume_molar": 6.191455148134731,
"formula_full": "Fe2 P2 H6 C2 O14",
"formula_reduced": "FePH3CO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 3.389145038461538,
"spacegroup": 2
},
{
"id": "jvasp-116744",
"created_at": "2022-09-04T14:38:51.257608Z",
"updated_at": "2022-09-04T14:38:51.257627Z",
"structure_string": "Ca8 Rh2 N8\n1.0\n5.964988 -0.014192 1.293118\n1.577244 5.258071 2.302250\n0.024226 0.032707 8.665377\nCa Rh N\n8 2 8\ndirect\n0.787321 0.586725 0.153525 Ca\n0.212679 0.413275 0.846475 Ca\n0.720500 0.213324 0.986803 Ca\n0.279500 0.786677 0.013198 Ca\n0.731567 0.476729 0.573102 Ca\n0.268434 0.523272 0.426899 Ca\n0.215225 0.956459 0.619512 Ca\n0.784775 0.043542 0.380489 Ca\n0.289630 0.145877 0.240781 Rh\n0.710370 0.854124 0.759220 Rh\n0.982999 0.676525 0.619231 N\n0.017001 0.323475 0.380769 N\n0.947073 0.857617 0.884443 N\n0.052928 0.142384 0.115557 N\n0.509357 0.618833 0.793722 N\n0.490643 0.381167 0.206279 N\n0.531400 0.833069 0.326198 N\n0.468600 0.166932 0.673803 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ca",
"Rh",
"N"
],
"chemical_system": "Ca-N-Rh",
"density": 3.906112958170119,
"density_atomic": 0.06631550151410878,
"volume": 271.4297500437429,
"volume_molar": 9.081045340083532,
"formula_full": "Ca8 Rh2 N8",
"formula_reduced": "Ca4RhN4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.777519742222222,
"spacegroup": 2
},
{
"id": "jvasp-118408",
"created_at": "2022-09-04T14:38:51.298500Z",
"updated_at": "2022-09-04T14:38:51.298524Z",
"structure_string": "H1 F2\n1.0\n3.108256 -0.007535 0.362172\n0.905685 -3.556394 -0.155065\n-1.247964 0.093054 -2.832292\nH F\n1 2\ndirect\n0.823919 0.112697 0.152877 H\n0.607223 0.902410 0.849196 F\n0.029708 0.313095 0.441324 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"H",
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],
"chemical_system": "F-H",
"density": 2.1766780211483208,
"density_atomic": 0.10082051017065488,
"volume": 29.75585022255907,
"volume_molar": 5.973130615790935,
"formula_full": "H1 F2",
"formula_reduced": "HF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3977335216666667,
"spacegroup": 2
},
{
"id": "jvasp-116855",
"created_at": "2022-09-04T14:38:51.624537Z",
"updated_at": "2022-09-04T14:38:51.624556Z",
"structure_string": "Li7 Ni5 O12\n1.0\n5.135341 -0.009171 -2.580912\n-1.940696 6.008482 -0.676681\n-0.035786 0.039899 6.422083\nLi Ni O\n7 5 12\ndirect\n0.244282 0.672503 0.163690 Li\n0.000000 0.000000 0.000000 Li\n0.747867 0.997028 0.497814 Li\n0.756669 0.676178 0.163308 Li\n0.755716 0.327497 0.836310 Li\n0.252131 0.002972 0.502185 Li\n0.243329 0.323822 0.836691 Li\n0.496720 0.332063 0.329650 Ni\n0.500000 0.000000 0.000000 Ni\n0.000398 0.331311 0.330518 Ni\n-0.000400 0.668689 0.669481 Ni\n0.503278 0.667937 0.670349 Ni\n0.631940 0.319066 0.088504 O\n0.859805 0.660629 0.887501 O\n0.390809 0.018274 0.241504 O\n0.609189 0.981726 0.758495 O\n0.368058 0.680934 0.911496 O\n0.860808 0.015991 0.242008 O\n0.870009 0.346719 0.562776 O\n0.139190 0.984009 0.757991 O\n0.140193 0.339371 0.112499 O\n0.367851 0.349393 0.575118 O\n0.632147 0.650607 0.424881 O\n0.129989 0.653281 0.437223 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 4.482749231875453,
"density_atomic": 0.1213185670265528,
"volume": 197.82627332506456,
"volume_molar": 4.963906933290717,
"formula_full": "Li7 Ni5 O12",
"formula_reduced": "Li7Ni5O12",
"formula_anonymous": "A5B7C12",
"energy_above_hull": 2.005648083333333,
"spacegroup": 2
},
{
"id": "jvasp-119171",
"created_at": "2022-09-04T14:38:51.749687Z",
"updated_at": "2022-09-04T14:38:51.749722Z",
"structure_string": "Li2 Al2 Si6 O16\n1.0\n6.650048 -0.058349 -2.434886\n-2.200021 6.158189 -3.187961\n-0.009337 -0.016322 7.545671\nLi Al Si O\n2 2 6 16\ndirect\n0.879843 0.754373 0.715801 Li\n0.120158 0.245627 0.284199 Li\n0.801919 0.147228 0.842069 Al\n0.198081 0.852772 0.157931 Al\n0.289310 0.574065 0.777793 Si\n0.239889 0.173684 0.816404 Si\n0.710690 0.425935 0.222206 Si\n0.366424 0.775292 0.533628 Si\n0.633576 0.224708 0.466371 Si\n0.760111 0.826317 0.183595 Si\n0.842480 0.282032 0.119501 O\n0.457879 0.318860 0.049580 O\n0.542121 0.681140 0.950419 O\n0.193878 0.319594 0.701160 O\n0.806122 0.680406 0.298840 O\n0.157520 0.717968 0.880499 O\n0.269721 0.960345 0.648199 O\n0.626274 0.871872 0.679051 O\n0.957428 0.900505 0.139996 O\n0.042572 0.099496 0.860004 O\n0.373726 0.128128 0.320949 O\n0.717545 0.298383 0.723175 O\n0.265787 0.561879 0.546096 O\n0.734213 0.438122 0.453904 O\n0.730279 0.039655 0.351801 O\n0.282455 0.701618 0.276825 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
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"Al",
"Si",
"O"
],
"chemical_system": "Al-Li-O-Si",
"density": 2.659017655386426,
"density_atomic": 0.08456153783946246,
"volume": 307.46839123668985,
"volume_molar": 7.12160742799268,
"formula_full": "Li2 Al2 Si6 O16",
"formula_reduced": "LiAlSi3O8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 2.708591276923077,
"spacegroup": 2
},
{
"id": "jvasp-119706",
"created_at": "2022-09-04T14:38:51.799676Z",
"updated_at": "2022-09-04T14:38:51.799717Z",
"structure_string": "Fe4 As2 O11\n1.0\n4.822263 0.001914 -1.436870\n-1.525142 5.905708 -2.072215\n-0.024656 0.047211 6.687108\nFe As O\n4 2 11\ndirect\n0.105585 0.750834 0.028434 Fe\n0.894414 0.249165 0.971565 Fe\n0.661635 0.633146 0.249889 Fe\n0.338364 0.366853 0.750110 Fe\n0.340284 0.812901 0.607531 As\n0.659715 0.187098 0.392468 As\n0.473248 0.091860 0.799904 O\n0.795251 0.348447 0.263366 O\n0.204748 0.651553 0.736633 O\n0.382477 0.278678 0.460807 O\n0.000000 0.000000 0.000000 O\n0.924162 0.198039 0.631972 O\n0.526751 0.908140 0.200095 O\n0.257295 0.467923 0.051068 O\n0.742704 0.532076 0.948931 O\n0.075837 0.801960 0.368027 O\n0.617522 0.721321 0.539192 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Fe",
"As",
"O"
],
"chemical_system": "As-Fe-O",
"density": 4.7791762258675785,
"density_atomic": 0.08908594956933656,
"volume": 190.8269495041832,
"volume_molar": 6.759922063032962,
"formula_full": "Fe4 As2 O11",
"formula_reduced": "Fe4As2O11",
"formula_anonymous": "A2B4C11",
"energy_above_hull": 3.233082,
"spacegroup": 2
}
]
}