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=4344",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4342",
"results": [
{
"id": "jvasp-88089",
"created_at": "2022-09-04T14:35:52.988523Z",
"updated_at": "2022-09-04T14:35:52.988560Z",
"structure_string": "Pr6 U2 Cl6 O12\n1.0\n9.466923 -0.000000 -0.000000\n-4.733461 8.198596 -0.000000\n0.000000 -0.000000 5.598371\nPr U Cl O\n6 2 6 12\ndirect\n0.092002 0.688470 0.750000 Pr\n0.907998 0.311531 0.250000 Pr\n0.403532 0.092002 0.250000 Pr\n0.311531 0.403532 0.750000 Pr\n0.688469 0.596468 0.250000 Pr\n0.596468 0.907999 0.750000 Pr\n0.333333 0.666667 0.250000 U\n0.666667 0.333333 0.750000 U\n0.058450 0.811843 0.250000 Cl\n0.246607 0.058449 0.750000 Cl\n0.941550 0.188157 0.750000 Cl\n0.753393 0.941551 0.250000 Cl\n0.811843 0.753394 0.750000 Cl\n0.188157 0.246607 0.250000 Cl\n0.151428 0.515682 0.006000 O\n0.484318 0.635746 0.006000 O\n0.515682 0.364255 0.994000 O\n0.848572 0.484319 0.505999 O\n0.484318 0.635746 0.494000 O\n0.635745 0.151428 0.994000 O\n0.635745 0.151428 0.505999 O\n0.151428 0.515682 0.494000 O\n0.364255 0.848572 0.006000 O\n0.848572 0.484319 0.994000 O\n0.515682 0.364255 0.505999 O\n0.364255 0.848572 0.494000 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Pr",
"U",
"Cl",
"O"
],
"chemical_system": "Cl-O-Pr-U",
"density": 6.59680818416251,
"density_atomic": 0.05983610855633173,
"volume": 434.5202358125065,
"volume_molar": 10.064392396658874,
"formula_full": "Pr6 U2 Cl6 O12",
"formula_reduced": "Pr3U(ClO2)3",
"formula_anonymous": "AB3C3D6",
"energy_above_hull": 2.1871545194230766,
"spacegroup": 176
},
{
"id": "jvasp-98791",
"created_at": "2022-09-04T14:36:07.735863Z",
"updated_at": "2022-09-04T14:36:07.735879Z",
"structure_string": "Te2 C8 Cl4 F12\n1.0\n6.912290 0.032679 -1.330658\n-1.038431 6.833922 -1.330658\n0.041449 0.048454 8.952861\nTe C Cl F\n2 8 4 12\ndirect\n0.428496 0.571504 0.750000 Te\n0.571504 0.428496 0.250000 Te\n0.571088 0.977752 0.702581 C\n0.153764 0.586662 0.817205 C\n0.413337 0.846236 0.682794 C\n0.977753 0.571088 0.202581 C\n0.428912 0.022247 0.297419 C\n0.846237 0.413337 0.182794 C\n0.022247 0.428911 0.797419 C\n0.586663 0.153763 0.317205 C\n0.241069 0.416413 0.475820 Cl\n0.758931 0.583586 0.524179 Cl\n0.583587 0.758931 0.024179 Cl\n0.416413 0.241068 0.975820 Cl\n0.144362 0.567573 0.151672 F\n0.748594 0.959234 0.773936 F\n0.251406 0.040765 0.226063 F\n0.040766 0.251406 0.726063 F\n0.959235 0.748594 0.273937 F\n0.880051 0.237725 0.109360 F\n0.432427 0.855638 0.348328 F\n0.567573 0.144361 0.651671 F\n0.237725 0.880051 0.609360 F\n0.762275 0.119949 0.390639 F\n0.855639 0.432426 0.848328 F\n0.119949 0.762274 0.890639 F\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Te",
"C",
"Cl",
"F"
],
"chemical_system": "C-Cl-F-Te",
"density": 2.8232926449856466,
"density_atomic": 0.06130524575354564,
"volume": 424.10726325970677,
"volume_molar": 9.823206294955117,
"formula_full": "Te2 C8 Cl4 F12",
"formula_reduced": "TeC4(ClF3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 2.2416705843589746,
"spacegroup": 15
},
{
"id": "jvasp-97920",
"created_at": "2022-09-04T14:35:50.604596Z",
"updated_at": "2022-09-04T14:35:50.604617Z",
"structure_string": "V4 Te4 O18\n1.0\n4.861686 0.043507 -0.803566\n-0.388799 4.846296 -0.803581\n0.003135 0.003380 14.481014\nV Te O\n4 4 18\ndirect\n0.409178 0.008541 0.320202 V\n0.338833 0.438284 0.179761 V\n0.561705 0.661182 0.820239 V\n0.991449 0.590829 0.679798 V\n0.128424 0.154337 0.904643 Te\n0.000347 0.526196 0.404637 Te\n0.845676 0.871565 0.095357 Te\n0.473796 0.999654 0.595361 Te\n0.654131 0.958482 0.405986 O\n0.894090 0.909678 0.805223 O\n0.697370 0.502211 0.906099 O\n0.071816 0.928188 -0.000000 O\n0.145510 0.661136 0.305200 O\n0.557254 0.303212 0.285917 O\n0.090336 0.105902 0.194776 O\n0.497817 0.302616 0.093903 O\n0.338856 0.854497 0.694799 O\n0.041513 0.345875 0.594015 O\n0.462611 0.975696 0.893134 O\n0.521125 0.767271 0.214002 O\n0.321794 0.678203 0.500000 O\n0.819377 0.832220 0.606841 O\n0.167784 0.180616 0.393158 O\n0.024330 0.537381 0.106862 O\n0.232718 0.478890 0.786000 O\n0.696778 0.442756 0.714084 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"V",
"Te",
"O"
],
"chemical_system": "O-Te-V",
"density": 4.8735233765538775,
"density_atomic": 0.07614340955406995,
"volume": 341.4609373584358,
"volume_molar": 7.908945495438626,
"formula_full": "V4 Te4 O18",
"formula_reduced": "V2Te2O9",
"formula_anonymous": "A2B2C9",
"energy_above_hull": 2.905873494871795,
"spacegroup": 43
},
{
"id": "jvasp-96470",
"created_at": "2022-09-04T14:35:52.901473Z",
"updated_at": "2022-09-04T14:35:52.901498Z",
"structure_string": "Ca4 Se6 O16\n1.0\n5.511787 0.031172 -0.583800\n-1.015970 8.071834 -0.303162\n-0.019035 0.052960 8.758125\nCa Se O\n4 6 16\ndirect\n0.757855 0.042972 0.651628 Ca\n0.242145 0.957027 0.348372 Ca\n0.712009 0.841838 0.041464 Ca\n0.287991 0.158161 0.958536 Ca\n0.729823 0.670768 0.425007 Se\n0.773850 0.445063 0.819973 Se\n0.226149 0.554936 0.180027 Se\n0.180259 0.801083 0.764316 Se\n0.819741 0.198917 0.235684 Se\n0.270177 0.329231 0.574993 Se\n0.007760 0.085220 0.138727 O\n0.992239 0.914779 0.861272 O\n0.544516 0.076915 0.179337 O\n0.551568 0.814222 0.478930 O\n0.086064 0.863425 0.584090 O\n0.253548 0.429264 0.030285 O\n0.746452 0.570735 0.969714 O\n0.318528 0.750489 0.129943 O\n0.681472 0.249511 0.870057 O\n0.507490 0.513789 0.313180 O\n0.492509 0.486210 0.686819 O\n0.125013 0.238048 0.718033 O\n0.874986 0.761952 0.281967 O\n0.448432 0.185777 0.521070 O\n0.913936 0.136574 0.415909 O\n0.455484 0.923083 0.820663 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ca",
"Se",
"O"
],
"chemical_system": "Ca-O-Se",
"density": 3.7901018885762943,
"density_atomic": 0.06667371905234225,
"volume": 389.95874790768283,
"volume_molar": 9.03225565574393,
"formula_full": "Ca4 Se6 O16",
"formula_reduced": "Ca2Se3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.9986029953846156,
"spacegroup": 2
},
{
"id": "jvasp-98781",
"created_at": "2022-09-04T14:35:49.508216Z",
"updated_at": "2022-09-04T14:35:49.508241Z",
"structure_string": "Dy2 P6 O18\n1.0\n6.210590 0.000000 2.588574\n2.805425 7.040118 2.013746\n0.053858 -0.025730 8.615393\nDy P O\n2 6 18\ndirect\n0.212814 0.355055 0.758569 Dy\n0.673560 0.855056 0.258570 Dy\n0.184739 0.821616 0.593624 P\n0.618106 0.616160 0.982218 P\n0.179822 0.886118 0.924540 P\n0.400020 0.321616 0.093624 P\n0.783515 0.116160 0.482218 P\n0.009520 0.386117 0.424540 P\n0.048711 0.320836 0.592800 O\n0.086648 0.872222 0.785082 O\n0.601222 0.215678 0.632735 O\n0.188734 0.078876 0.900306 O\n0.707073 0.075961 0.359476 O\n0.550364 0.715678 0.132736 O\n0.037652 0.820836 0.092801 O\n0.270883 0.611746 0.591162 O\n0.526208 0.111746 0.091162 O\n0.857489 0.575961 0.859476 O\n0.247875 0.419453 0.983567 O\n0.953711 0.230556 0.374139 O\n0.441593 0.730556 0.874140 O\n0.950023 0.914026 0.546677 O\n0.349105 0.919453 0.483567 O\n0.256047 0.372222 0.285082 O\n0.832083 0.578876 0.400306 O\n0.589273 0.414026 0.046677 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Dy",
"P",
"O"
],
"chemical_system": "Dy-O-P",
"density": 3.5293411859954142,
"density_atomic": 0.06917713394433472,
"volume": 375.84673601715866,
"volume_molar": 8.705392109545736,
"formula_full": "Dy2 P6 O18",
"formula_reduced": "Dy(PO3)3",
"formula_anonymous": "AB3C9",
"energy_above_hull": 2.826559576923077,
"spacegroup": 9
},
{
"id": "jvasp-96505",
"created_at": "2022-09-04T14:35:50.263496Z",
"updated_at": "2022-09-04T14:35:50.263523Z",
"structure_string": "Ta8 Fe2 S16\n1.0\n6.633617 -0.000000 -0.000000\n-3.316809 5.744881 -0.000000\n-0.000000 0.000000 11.699727\nTa Fe S\n8 2 16\ndirect\n0.493828 0.987655 0.750000 Ta\n0.506173 0.012345 0.250000 Ta\n0.987655 0.493827 0.250000 Ta\n0.493828 0.506172 0.750000 Ta\n0.506173 0.493827 0.250000 Ta\n0.012345 0.506172 0.750000 Ta\n0.000000 0.000000 0.250000 Ta\n0.000000 0.000000 0.750000 Ta\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.165151 0.834848 0.384411 S\n0.834849 0.165152 0.615589 S\n0.834849 0.669698 0.884411 S\n0.165152 0.330302 0.115589 S\n0.165152 0.330302 0.384411 S\n0.330302 0.165152 0.615589 S\n0.834849 0.669698 0.615589 S\n0.666667 0.333333 0.388319 S\n0.330302 0.165152 0.884411 S\n0.669698 0.834848 0.115589 S\n0.834849 0.165152 0.884411 S\n0.333333 0.666667 0.888319 S\n0.669698 0.834848 0.384411 S\n0.165151 0.834848 0.115589 S\n0.666667 0.333333 0.111681 S\n0.333333 0.666667 0.611681 S\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"S"
],
"chemical_system": "Fe-S-Ta",
"density": 7.7178671505449055,
"density_atomic": 0.05831310801645139,
"volume": 445.86887724565867,
"volume_molar": 10.327250535678914,
"formula_full": "Ta8 Fe2 S16",
"formula_reduced": "Ta4FeS8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 4.21036786923077,
"spacegroup": 194
},
{
"id": "jvasp-119740",
"created_at": "2022-09-04T14:38:53.688239Z",
"updated_at": "2022-09-04T14:38:53.688272Z",
"structure_string": "Fe4 H8 O4 F10\n1.0\n6.452450 0.022608 -3.608854\n-1.645408 5.568043 -4.576896\n-0.008392 -0.022608 7.393096\nFe H O F\n4 8 4 10\ndirect\n0.500000 0.500000 -0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 -0.000000 0.500000 Fe\n0.520232 0.794989 0.487718 H\n0.692728 0.205010 0.725243 H\n0.979768 0.467486 0.274758 H\n0.807272 0.532514 0.512282 H\n0.192728 0.467486 0.487718 H\n0.020232 0.532513 0.725242 H\n0.307271 0.794989 0.274758 H\n0.479768 0.205010 0.512282 H\n0.441127 0.744469 0.303342 O\n0.941128 0.637785 0.696658 O\n0.558872 0.255530 0.696658 O\n0.058872 0.362215 0.303343 O\n0.178392 0.341181 0.760000 F\n0.581182 0.341182 0.162790 F\n0.821608 0.658818 0.240000 F\n0.678392 0.918392 0.837210 F\n0.918818 0.081608 0.760001 F\n0.750000 0.095712 0.345713 F\n0.250000 0.904287 0.654288 F\n0.081182 0.918392 0.240000 F\n0.321608 0.081608 0.162790 F\n0.418818 0.658818 0.837210 F\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Fe",
"H",
"O",
"F"
],
"chemical_system": "F-Fe-H-O",
"density": 3.0426716035932913,
"density_atomic": 0.09814248643017849,
"volume": 264.92094245540824,
"volume_molar": 6.136120022070494,
"formula_full": "Fe4 H8 O4 F10",
"formula_reduced": "Fe2H4O2F5",
"formula_anonymous": "A2B2C4D5",
"energy_above_hull": 1.878923800961538,
"spacegroup": 74
},
{
"id": "jvasp-117326",
"created_at": "2022-09-04T14:38:26.624324Z",
"updated_at": "2022-09-04T14:38:26.624347Z",
"structure_string": "Al10 O16\n1.0\n5.602651 0.000000 0.000000\n-2.801326 4.852038 0.000000\n0.000000 -0.000000 8.895058\nAl O\n10 16\ndirect\n0.837591 0.162409 0.868549 Al\n0.333333 0.666667 0.054691 Al\n0.666666 0.333333 0.149439 Al\n0.333333 0.666667 0.649439 Al\n0.675183 0.837592 0.368549 Al\n0.666666 0.333333 0.554691 Al\n0.162408 0.837592 0.368549 Al\n0.324817 0.162409 0.868549 Al\n0.837591 0.675183 0.868549 Al\n0.162408 0.324817 0.368549 Al\n0.659970 0.829985 0.759150 O\n0.829984 0.659971 0.259149 O\n0.829985 0.170015 0.259149 O\n0.340029 0.170015 0.259149 O\n0.170015 0.340030 0.759150 O\n0.170015 0.829985 0.759150 O\n0.974208 0.487105 0.999597 O\n0.487104 0.512895 0.499597 O\n0.512895 0.487105 0.999597 O\n0.025791 0.512895 0.499597 O\n0.487104 0.974209 0.499597 O\n0.666666 0.333333 0.758685 O\n0.000000 0.000000 0.973352 O\n0.000000 0.000000 0.473352 O\n0.512895 0.025791 0.999597 O\n0.333333 0.666667 0.258685 O\n",
"nsites": 26,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 3.610837218423885,
"density_atomic": 0.1075243435902515,
"volume": 241.8057077295866,
"volume_molar": 5.600723109688425,
"formula_full": "Al10 O16",
"formula_reduced": "Al5O8",
"formula_anonymous": "A5B8",
"energy_above_hull": 2.3813455384615385,
"spacegroup": 186
},
{
"id": "jvasp-117419",
"created_at": "2022-09-04T14:38:27.363904Z",
"updated_at": "2022-09-04T14:38:27.363922Z",
"structure_string": "Li2 Cr4 P4 O16\n1.0\n8.007624 0.000000 0.000000\n-0.000000 4.144721 2.480638\n-0.000000 0.217188 10.345343\nLi Cr P O\n2 4 4 16\ndirect\n0.827756 0.918021 0.128327 Li\n0.172243 0.918021 0.628327 Li\n0.442341 0.008116 0.980544 Cr\n0.557658 0.008116 0.480544 Cr\n0.889778 0.525904 0.517361 Cr\n0.110221 0.525904 0.017361 Cr\n0.072202 0.159032 0.832164 P\n0.927797 0.159032 0.332164 P\n0.462033 0.218549 0.168157 P\n0.537967 0.218549 0.668156 P\n0.758747 0.950253 0.385231 O\n0.033725 0.197415 0.677294 O\n0.912106 0.487542 0.318948 O\n0.087894 0.487542 0.818947 O\n0.966275 0.197415 0.177294 O\n0.954260 0.909907 0.961870 O\n0.692598 0.222146 0.571005 O\n0.428591 -0.043452 0.336143 O\n0.571409 -0.043452 0.836143 O\n0.483754 0.551186 0.152424 O\n0.516245 0.551186 0.652424 O\n0.045739 0.909907 0.461870 O\n0.397256 0.132594 0.590031 O\n0.307401 0.222145 0.071005 O\n0.602744 0.132593 0.090031 O\n0.241252 0.950253 0.885231 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 2.9472304851954254,
"density_atomic": 0.07668685345586691,
"volume": 339.04116322836137,
"volume_molar": 7.852898493828185,
"formula_full": "Li2 Cr4 P4 O16",
"formula_reduced": "LiCr2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.193140292307693,
"spacegroup": 7
},
{
"id": "jvasp-46456",
"created_at": "2022-09-04T14:38:12.786772Z",
"updated_at": "2022-09-04T14:38:12.786804Z",
"structure_string": "Li6 V2 B2 P2 O14\n1.0\n0.000000 5.007745 0.024967\n6.334768 0.000000 0.000000\n0.000000 -0.858802 -8.343326\nLi V B P O\n6 2 2 2 14\ndirect\n0.227596 0.750000 0.095088 Li\n0.734365 -0.003387 0.243168 Li\n0.734365 0.503387 0.243168 Li\n0.265637 0.496613 0.756832 Li\n0.265637 0.003387 0.756832 Li\n0.772406 0.250000 0.904912 Li\n0.210352 0.250000 0.316774 V\n0.789650 0.750000 0.683226 V\n0.696240 0.750000 0.962397 B\n0.303761 0.250000 0.037603 B\n0.266214 0.750000 0.418625 P\n0.733787 0.250000 0.581375 P\n0.504817 0.750000 0.824660 O\n0.830378 0.061186 0.691919 O\n0.830378 0.438814 0.691919 O\n0.424919 0.250000 0.544389 O\n0.136687 0.750000 0.576204 O\n0.863314 0.250000 0.423796 O\n0.621194 0.750000 0.112554 O\n0.169624 0.561186 0.308081 O\n0.169624 0.938814 0.308081 O\n0.495185 0.250000 0.175340 O\n0.043110 0.250000 0.080390 O\n0.956892 0.750000 0.919610 O\n0.575083 0.750000 0.455611 O\n0.378808 0.250000 0.887446 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Li",
"V",
"B",
"P",
"O"
],
"chemical_system": "B-Li-O-P-V",
"density": 2.8315433549979834,
"density_atomic": 0.09828429963611121,
"volume": 264.53869128907326,
"volume_molar": 6.127266290034557,
"formula_full": "Li6 V2 B2 P2 O14",
"formula_reduced": "Li3VBPO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.720661291025641,
"spacegroup": 11
},
{
"id": "jvasp-97925",
"created_at": "2022-09-04T14:38:12.064087Z",
"updated_at": "2022-09-04T14:38:12.064110Z",
"structure_string": "Mn2 Ag8 Sb4 S12\n1.0\n6.666200 0.000000 -0.273105\n0.000000 7.980418 0.000000\n0.061037 0.000000 10.563819\nMn Ag Sb S\n2 8 4 12\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.737698 0.466626 0.974230 Ag\n0.427841 0.807156 0.676273 Ag\n0.072160 0.307156 0.823727 Ag\n0.572160 0.192845 0.323727 Ag\n0.927840 0.692845 0.176274 Ag\n0.237698 0.033374 0.474229 Ag\n0.262302 0.533374 0.025771 Ag\n0.762302 0.966626 0.525771 Ag\n0.532074 0.357097 0.691096 Sb\n0.032074 0.142903 0.191095 Sb\n0.467926 0.642903 0.308905 Sb\n0.967926 0.857097 0.808905 Sb\n0.848133 0.241051 0.606671 S\n0.348132 0.258950 0.106671 S\n0.151868 0.758950 0.393330 S\n0.329018 0.329048 0.484939 S\n0.170982 0.829048 0.015062 S\n0.670983 0.670952 0.515062 S\n0.829018 0.170952 0.984939 S\n0.124470 0.596514 0.719034 S\n0.375531 0.096514 0.780966 S\n0.875531 0.403486 0.280966 S\n0.651868 0.741051 0.893330 S\n0.624469 0.903486 0.219034 S\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Mn",
"Ag",
"Sb",
"S"
],
"chemical_system": "Ag-Mn-S-Sb",
"density": 5.449208127150259,
"density_atomic": 0.04625360917506738,
"volume": 562.1182965764125,
"volume_molar": 13.019828868286854,
"formula_full": "Mn2 Ag8 Sb4 S12",
"formula_reduced": "MnAg4(SbS3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 1.656912960106101,
"spacegroup": 14
},
{
"id": "jvasp-45078",
"created_at": "2022-09-04T14:38:08.433428Z",
"updated_at": "2022-09-04T14:38:08.433453Z",
"structure_string": "Na6 Mn2 P2 C2 O14\n1.0\n0.000000 5.282388 -0.002550\n6.621327 0.000000 0.000000\n0.000000 -0.077293 -9.002156\nNa Mn P C O\n6 2 2 2 14\ndirect\n-0.000040 0.513567 0.999952 Na\n0.560739 0.763701 0.836402 Na\n0.500109 0.513412 0.500065 Na\n0.499892 0.013412 0.499935 Na\n0.439262 0.263701 0.163599 Na\n0.000041 0.013567 0.000049 Na\n0.979963 0.263456 0.704567 Mn\n0.020038 0.763456 0.295433 Mn\n0.984093 0.263470 0.342675 P\n0.015908 0.763470 0.657325 P\n0.502719 0.263477 0.850410 C\n0.497282 0.763477 0.149590 C\n0.072620 0.450419 0.251038 O\n0.072867 0.076514 0.251129 O\n0.443192 0.763338 0.288982 O\n0.696382 0.263390 0.364561 O\n0.127414 0.263578 0.494837 O\n0.872587 0.763579 0.505164 O\n0.680849 0.263519 0.950776 O\n0.556809 0.263337 0.711019 O\n0.927134 0.576514 0.748871 O\n0.927381 0.950419 0.748962 O\n0.265802 0.263562 0.892937 O\n0.734199 0.763562 0.107063 O\n0.303619 0.763390 0.635439 O\n0.319152 0.763519 0.049225 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Na",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.9416070138756485,
"density_atomic": 0.08257520854334673,
"volume": 314.8644788023957,
"volume_molar": 7.292916198738705,
"formula_full": "Na6 Mn2 P2 C2 O14",
"formula_reduced": "Na3MnPCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.4899972493368714,
"spacegroup": 11
}
]
}