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=4363",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4361",
"results": [
{
"id": "jvasp-112068",
"created_at": "2022-09-04T14:38:44.125971Z",
"updated_at": "2022-09-04T14:38:44.126008Z",
"structure_string": "H8 C15 S2 O1\n1.0\n3.748039 -0.029212 0.031007\n0.018411 5.601699 0.423755\n0.019501 -0.183207 13.092749\nH C S O\n8 15 2 1\ndirect\n0.674022 0.123406 0.861556 H\n0.799461 0.956739 0.197040 H\n0.852866 0.206211 0.334838 H\n0.667414 0.882574 0.007313 H\n0.881981 0.153643 0.531827 H\n0.336120 0.857683 0.656960 H\n0.217196 0.826205 0.843146 H\n0.818578 0.159022 0.679838 H\n0.680619 0.305441 0.713460 C\n0.600342 0.283985 0.816395 C\n0.579992 0.509212 0.652165 C\n0.430085 0.469079 0.865095 C\n0.418333 0.697068 0.701672 C\n0.349805 0.679750 0.807272 C\n0.320264 0.404978 0.973215 C\n0.418580 0.541674 0.059174 C\n0.632964 0.502848 0.541623 C\n0.546744 0.613225 0.241221 C\n0.772773 0.312144 0.492346 C\n0.757551 0.339155 0.385359 C\n0.653994 0.801583 0.173889 C\n0.587014 0.759218 0.070534 C\n0.613959 0.554382 0.348953 C\n0.492493 0.722732 0.451006 S\n0.347568 0.389551 0.176802 S\n0.162292 0.209682 0.990858 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6193354535087334,
"density_atomic": 0.09448305786209457,
"volume": 275.1816102094096,
"volume_molar": 6.373778427863529,
"formula_full": "H8 C15 S2 O1",
"formula_reduced": "H8C15S2O",
"formula_anonymous": "AB2C8D15",
"energy_above_hull": 5.773252826923076,
"spacegroup": 1
},
{
"id": "jvasp-57257",
"created_at": "2022-09-04T14:38:33.066305Z",
"updated_at": "2022-09-04T14:38:33.066331Z",
"structure_string": "Ba6 Ni5 O15\n1.0\n7.189962 -0.000645 0.259260\n0.250056 7.185612 0.259260\n-0.000668 -0.000645 7.194635\nBa Ni O\n6 5 15\ndirect\n0.334554 0.665446 0.000000 Ba\n-0.000000 0.334554 0.665447 Ba\n0.665446 0.000001 0.334554 Ba\n0.148158 0.851842 0.500000 Ba\n0.500000 0.148159 0.851843 Ba\n0.851842 0.500000 0.148158 Ba\n0.500000 0.500000 0.500000 Ni\n0.710525 0.710525 0.710525 Ni\n0.289475 0.289475 0.289475 Ni\n0.905057 0.905058 0.905058 Ni\n0.094942 0.094943 0.094943 Ni\n0.766158 0.628484 0.472486 O\n0.233842 0.527515 0.371517 O\n0.527514 0.371517 0.233842 O\n0.371517 0.233842 0.527515 O\n0.000000 0.854021 0.145979 O\n0.854021 0.145980 0.000000 O\n0.331675 0.036564 0.193376 O\n0.963436 0.668326 0.806625 O\n0.668325 0.806625 0.963437 O\n0.806625 0.963437 0.668325 O\n0.193375 0.331675 0.036564 O\n0.472486 0.766159 0.628484 O\n0.036564 0.193376 0.331676 O\n0.145979 0.000001 0.854021 O\n0.628483 0.472486 0.766159 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O",
"density": 6.064011988444877,
"density_atomic": 0.06994715550171833,
"volume": 371.70918264662356,
"volume_molar": 8.60955776800968,
"formula_full": "Ba6 Ni5 O15",
"formula_reduced": "Ba6(NiO3)5",
"formula_anonymous": "A5B6C15",
"energy_above_hull": 1.8879496276923076,
"spacegroup": 155
},
{
"id": "jvasp-112009",
"created_at": "2022-09-04T14:38:41.679503Z",
"updated_at": "2022-09-04T14:38:41.679539Z",
"structure_string": "Sn1 H12 C7 O6\n1.0\n4.458250 -0.205343 -0.791939\n-2.154830 5.626038 -1.003487\n-0.229940 0.428830 9.342442\nSn H C O\n1 12 7 6\ndirect\n0.229003 0.663066 0.392361 Sn\n0.667091 0.074521 0.407305 H\n0.841381 0.008568 0.803207 H\n0.775079 0.302707 0.241134 H\n0.557830 0.388184 0.857390 H\n0.410860 0.149525 0.700624 H\n0.024127 0.257574 0.954054 H\n0.105878 0.547047 0.793734 H\n0.795094 0.729044 0.987951 H\n0.996810 0.987245 0.128089 H\n0.517140 0.114845 0.046797 H\n0.337112 0.865932 0.899561 H\n0.961620 0.305013 0.644540 H\n0.575025 0.992082 0.971879 C\n0.752013 0.861308 0.061981 C\n0.880989 0.422584 0.710924 C\n0.632002 0.272780 0.785562 C\n0.777739 0.565452 0.605440 C\n0.584073 0.736261 0.170269 C\n0.786366 0.132535 0.878715 C\n0.000771 0.721737 0.562556 O\n0.492102 0.008868 0.457494 O\n0.956333 0.309993 0.321150 O\n0.732972 0.668949 0.277046 O\n0.285795 0.704544 0.162077 O\n0.476256 0.530279 0.563851 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.2272640235650547,
"density_atomic": 0.11217806567156847,
"volume": 231.7743655530842,
"volume_molar": 5.368376361232186,
"formula_full": "Sn1 H12 C7 O6",
"formula_reduced": "SnH12C7O6",
"formula_anonymous": "AB6C7D12",
"energy_above_hull": 4.30821895,
"spacegroup": 1
},
{
"id": "jvasp-120451",
"created_at": "2022-09-04T14:38:38.052101Z",
"updated_at": "2022-09-04T14:38:38.052110Z",
"structure_string": "Ag4 Te2 H8 O12\n1.0\n9.724212 0.040434 3.632690\n8.297594 5.086616 1.892416\n-0.008393 0.029688 5.525106\nAg Te H O\n4 2 8 12\ndirect\n0.666919 0.178121 0.874296 Ag\n0.874295 0.280664 0.666920 Ag\n0.071878 0.583082 0.969337 Ag\n0.969335 0.375705 0.071879 Ag\n0.245083 0.754916 0.245085 Te\n0.495084 0.004916 0.495084 Te\n0.447293 0.791059 0.443320 H\n0.458940 0.802707 0.931673 H\n0.931671 0.806682 0.458942 H\n0.443318 0.318329 0.447295 H\n0.501278 0.017863 0.024088 H\n0.793228 0.225912 0.232137 H\n0.232136 0.748723 0.793229 H\n0.024088 0.456772 0.501279 H\n0.387972 0.279933 0.593593 O\n0.525840 0.387476 0.253884 O\n0.253883 0.832801 0.525841 O\n0.862523 0.724160 0.417201 O\n0.417200 -0.003884 0.862524 O\n0.206761 0.700453 0.963496 O\n0.963495 0.129291 0.206762 O\n0.549548 0.043238 0.120708 O\n0.120708 0.286506 0.549548 O\n0.970067 0.862028 0.511498 O\n0.511496 0.656409 0.970069 O\n0.593591 0.738503 0.387974 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ag",
"Te",
"H",
"O"
],
"chemical_system": "Ag-H-O-Te",
"density": 5.414618472156333,
"density_atomic": 0.09560952051733021,
"volume": 271.9394455627171,
"volume_molar": 6.29868315144246,
"formula_full": "Ag4 Te2 H8 O12",
"formula_reduced": "Ag2Te(H2O3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 2.311043329743589,
"spacegroup": 43
},
{
"id": "jvasp-57275",
"created_at": "2022-09-04T14:38:34.319272Z",
"updated_at": "2022-09-04T14:38:34.319303Z",
"structure_string": "Tl2 In10 S14\n1.0\n0.000000 9.220332 -0.011768\n3.941399 0.000000 0.000000\n0.000000 -3.720690 -17.114957\nTl In S\n2 10 14\ndirect\n0.974213 0.250000 0.274780 Tl\n0.025787 0.750000 0.725221 Tl\n0.565864 0.250000 0.119583 In\n0.476509 0.750000 0.397466 In\n0.827652 0.250000 0.467548 In\n0.319705 0.250000 0.188858 In\n0.680295 0.750000 0.811143 In\n0.434136 0.750000 0.880417 In\n0.854883 0.750000 0.045853 In\n0.523491 0.250000 0.602534 In\n0.145117 0.250000 0.954148 In\n0.172348 0.750000 0.532453 In\n0.739684 0.250000 0.728119 S\n0.335718 0.750000 0.006670 S\n0.614995 0.250000 0.347203 S\n0.385005 0.750000 0.652797 S\n0.035785 0.250000 0.588909 S\n0.742895 0.750000 0.172456 S\n0.964215 0.750000 0.411091 S\n0.669641 0.750000 0.532994 S\n0.056912 0.250000 0.090154 S\n0.664282 0.250000 0.993331 S\n0.330359 0.250000 0.467007 S\n0.257105 0.250000 0.827544 S\n0.260316 0.750000 0.271881 S\n0.943088 0.750000 0.909846 S\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Tl",
"In",
"S"
],
"chemical_system": "In-S-Tl",
"density": 5.353720842346675,
"density_atomic": 0.04179074283530434,
"volume": 622.1473521651666,
"volume_molar": 14.410226646922785,
"formula_full": "Tl2 In10 S14",
"formula_reduced": "TlIn5S7",
"formula_anonymous": "AB5C7",
"energy_above_hull": 0.912985573076923,
"spacegroup": 11
},
{
"id": "jvasp-112729",
"created_at": "2022-09-04T14:38:43.671570Z",
"updated_at": "2022-09-04T14:38:43.671591Z",
"structure_string": "Ca10 Co4 N12\n1.0\n5.689586 0.000543 -1.049648\n-3.358270 5.189481 -0.000000\n-0.025403 -0.016439 12.441819\nCa Co N\n10 4 12\ndirect\n0.000000 0.368700 0.750000 Ca\n0.000000 0.631299 0.250000 Ca\n0.128077 0.803822 0.999356 Ca\n0.871923 0.675746 0.500644 Ca\n0.871923 0.196177 0.000644 Ca\n0.128077 0.324253 0.499356 Ca\n0.319240 0.051323 0.723861 Ca\n0.680761 0.732083 0.776139 Ca\n0.680761 0.948676 0.276139 Ca\n0.319240 0.267916 0.223861 Ca\n0.542852 0.659692 0.064659 Co\n0.457149 0.116841 0.435341 Co\n0.542852 0.883157 0.564659 Co\n0.457149 0.340307 0.935341 Co\n0.105110 0.014452 0.371263 N\n0.286644 0.676023 0.644392 N\n0.713357 0.389380 0.855608 N\n0.713357 0.323976 0.355608 N\n0.286644 0.610619 0.144392 N\n0.569142 0.233474 0.575204 N\n0.430859 0.664332 0.924796 N\n0.430859 0.766525 0.424796 N\n0.569142 0.335667 0.075204 N\n0.894891 0.985547 0.628737 N\n0.105110 0.090657 0.871263 N\n0.894891 0.909342 0.128737 N\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ca",
"Co",
"N"
],
"chemical_system": "Ca-Co-N",
"density": 3.6386668347749467,
"density_atomic": 0.07080928283515944,
"volume": 367.1834957081366,
"volume_molar": 8.504733445781747,
"formula_full": "Ca10 Co4 N12",
"formula_reduced": "Ca5(CoN3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 3.2793948769230763,
"spacegroup": 15
},
{
"id": "jvasp-57278",
"created_at": "2022-09-04T14:38:34.376000Z",
"updated_at": "2022-09-04T14:38:34.376011Z",
"structure_string": "Ta4 Ni6 S16\n1.0\n3.347752 0.000000 0.000000\n0.000000 10.137473 0.000000\n0.000000 0.000000 14.200292\nTa Ni S\n4 6 16\ndirect\n0.500000 0.201918 0.119115 Ta\n0.500000 0.701918 0.380885 Ta\n0.500000 0.298082 0.619114 Ta\n0.500000 0.798082 0.880885 Ta\n0.000000 0.500000 0.500000 Ni\n0.000000 0.869115 0.274705 Ni\n0.000000 0.130884 0.725295 Ni\n0.000000 0.630884 0.774705 Ni\n0.000000 0.369115 0.225295 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.280335 0.491795 S\n0.000000 0.780334 0.008205 S\n0.500000 0.941498 0.368721 S\n0.000000 0.027079 0.154988 S\n0.500000 0.058502 0.631279 S\n0.500000 0.441498 0.131279 S\n0.500000 0.558502 0.868721 S\n0.500000 0.753735 0.713685 S\n0.000000 0.719665 0.508205 S\n0.500000 0.246265 0.286315 S\n0.000000 0.527078 0.345012 S\n0.500000 0.253735 0.786315 S\n0.500000 0.746265 0.213685 S\n0.000000 0.972921 0.845012 S\n0.000000 0.219665 0.991795 S\n0.000000 0.472921 0.654988 S\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ta",
"Ni",
"S"
],
"chemical_system": "Ni-S-Ta",
"density": 5.475080673541825,
"density_atomic": 0.053950203157438884,
"volume": 481.92589607357223,
"volume_molar": 11.16240608478532,
"formula_full": "Ta4 Ni6 S16",
"formula_reduced": "Ta2Ni3S8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.9331473538461537,
"spacegroup": 55
},
{
"id": "jvasp-119746",
"created_at": "2022-09-04T14:38:36.997307Z",
"updated_at": "2022-09-04T14:38:36.997325Z",
"structure_string": "Na3 Li3 Mn2 P2 C2 O14\n1.0\n8.820120 0.352744 0.153901\n0.778939 6.603961 -0.168261\n-0.014373 -0.052038 5.124411\nNa Li Mn P C O\n3 3 2 2 2 14\ndirect\n0.090452 0.161957 0.691662 Na\n0.230715 0.545562 0.255413 Na\n0.759267 0.468004 0.740347 Na\n0.307125 0.088973 0.197089 Li\n0.703160 0.918681 0.796369 Li\n0.899342 0.851630 0.315473 Li\n0.361730 0.767539 0.787668 Mn\n0.650626 0.227267 0.212692 Mn\n0.578623 0.744895 0.292261 P\n0.429748 0.255123 0.709415 P\n0.025242 0.766304 0.781796 C\n0.964535 0.226334 0.216942 C\n0.876706 0.180152 0.410061 O\n0.679360 0.900659 0.190459 O\n0.654086 0.533437 0.188428 O\n0.575275 0.752326 0.597417 O\n0.599396 0.206270 0.796136 O\n0.409751 0.799036 0.200520 O\n0.104790 0.250249 0.262917 O\n0.349756 0.462719 0.822973 O\n0.337500 0.091676 0.811574 O\n0.138665 0.793979 0.623635 O\n0.044226 0.762759 0.029572 O\n0.906398 0.241137 -0.010372 O\n0.429266 0.253684 0.404208 O\n0.894264 0.749633 0.675340 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.849266973774149,
"density_atomic": 0.08753935212203293,
"volume": 297.00928062336,
"volume_molar": 6.879352672846978,
"formula_full": "Na3 Li3 Mn2 P2 C2 O14",
"formula_reduced": "Na3Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy_above_hull": 2.883021980106101,
"spacegroup": 1
},
{
"id": "jvasp-119717",
"created_at": "2022-09-04T14:38:36.909277Z",
"updated_at": "2022-09-04T14:38:36.909301Z",
"structure_string": "Cr2 P6 O18\n1.0\n6.512582 -0.007161 -0.090337\n3.240673 5.649199 -0.090151\n-0.105243 -0.060489 9.501151\nCr P O\n2 6 18\ndirect\n0.659532 0.672201 0.499905 Cr\n0.672185 0.659517 0.999907 Cr\n0.774292 0.936237 0.762109 P\n0.936234 0.774295 0.262133 P\n0.287238 0.772582 0.738646 P\n0.772570 0.287239 0.238676 P\n0.938107 0.287151 0.749104 P\n0.287149 0.938099 0.249041 P\n0.753549 0.053297 0.248474 O\n0.053298 0.753555 0.748454 O\n0.929242 0.419324 0.882521 O\n0.419441 0.929180 0.382423 O\n0.910174 0.647056 0.135588 O\n0.647025 0.910252 0.635549 O\n0.053026 0.190171 0.246086 O\n0.190179 0.053026 0.746110 O\n0.903058 0.410200 0.612250 O\n0.755158 0.189177 0.755822 O\n0.410085 0.903094 0.112152 O\n0.690391 0.916206 0.904053 O\n0.661534 0.436260 0.366757 O\n0.436340 0.661446 0.866696 O\n0.394483 0.671829 0.597876 O\n0.671716 0.394555 0.097925 O\n0.189178 0.755154 0.255811 O\n0.916275 0.690359 0.404087 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Cr",
"P",
"O"
],
"chemical_system": "Cr-O-P",
"density": 2.7437427542091513,
"density_atomic": 0.07434847858829906,
"volume": 349.70453321545,
"volume_molar": 8.099884320898212,
"formula_full": "Cr2 P6 O18",
"formula_reduced": "Cr(PO3)3",
"formula_anonymous": "AB3C9",
"energy_above_hull": 3.180834261538461,
"spacegroup": 9
},
{
"id": "jvasp-112012",
"created_at": "2022-09-04T14:38:41.729546Z",
"updated_at": "2022-09-04T14:38:41.729564Z",
"structure_string": "Ca2 H8 C8 O8\n1.0\n4.263746 -0.072938 0.123092\n-0.147678 6.660730 2.883090\n-0.131155 0.093422 8.483161\nCa H C O\n2 8 8 8\ndirect\n0.786911 0.575744 0.702569 Ca\n0.786912 0.075744 0.702569 Ca\n0.464953 0.909735 0.237580 H\n0.464954 0.409735 0.237580 H\n0.493035 0.107792 0.304848 H\n0.493035 0.607792 0.304848 H\n0.948858 0.212627 0.196754 H\n0.948857 0.712627 0.196754 H\n0.914291 0.014468 0.131740 H\n0.914291 0.514468 0.131740 H\n0.086192 0.618461 0.149327 C\n0.086192 0.118461 0.149327 C\n0.325802 0.504408 0.282523 C\n0.325803 0.004408 0.282524 C\n0.209570 0.258994 0.970947 C\n0.176492 0.373763 0.456839 C\n0.176489 0.873765 0.456839 C\n0.209567 0.758992 0.970947 C\n0.311559 0.714346 0.557726 O\n0.909879 0.921543 0.498377 O\n0.909878 0.421543 0.498377 O\n0.453410 0.369936 0.950319 O\n0.453412 0.869937 0.950318 O\n0.037454 0.267527 0.844349 O\n0.037455 0.767527 0.844349 O\n0.311557 0.214348 0.557725 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ca",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-H-O",
"density": 2.162467923980651,
"density_atomic": 0.1084180259642761,
"volume": 239.8125198162807,
"volume_molar": 5.554556732092046,
"formula_full": "Ca2 H8 C8 O8",
"formula_reduced": "CaH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 4.039592647692308,
"spacegroup": 1
},
{
"id": "jvasp-116587",
"created_at": "2022-09-04T14:38:43.748181Z",
"updated_at": "2022-09-04T14:38:43.748205Z",
"structure_string": "Tb2 Al20 Ru4\n1.0\n6.846541 0.013532 0.000000\n-0.804727 6.799097 0.000000\n0.000000 0.000000 9.159701\nTb Al Ru\n2 20 4\ndirect\n0.871927 0.128072 0.750000 Tb\n0.128072 0.871928 0.250000 Tb\n0.480845 0.217604 0.250000 Al\n0.519155 0.782396 0.750000 Al\n0.782396 0.519155 0.250000 Al\n0.217604 0.480845 0.750000 Al\n0.583781 0.853780 0.250000 Al\n0.416218 0.146221 0.750000 Al\n0.146220 0.416218 0.250000 Al\n0.853779 0.583782 0.750000 Al\n0.844775 0.155225 0.398959 Al\n0.155225 0.844775 0.601041 Al\n0.844775 0.155225 0.101041 Al\n0.224964 0.224964 -0.000000 Al\n0.775036 0.775036 -0.000000 Al\n0.775036 0.775036 0.500000 Al\n0.224964 0.224964 0.500000 Al\n0.624164 0.375836 0.954160 Al\n0.375836 0.624164 0.045840 Al\n0.375836 0.624164 0.454160 Al\n0.624164 0.375836 0.545840 Al\n0.155225 0.844775 0.898959 Al\n0.500000 -0.000000 -0.000000 Ru\n-0.000000 0.500000 0.500000 Ru\n-0.000000 0.500000 -0.000000 Ru\n0.500000 -0.000000 0.500000 Ru\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Ru"
],
"chemical_system": "Al-Ru-Tb",
"density": 4.912708874857911,
"density_atomic": 0.060963236762669785,
"volume": 426.48654140885174,
"volume_molar": 9.878315325421822,
"formula_full": "Tb2 Al20 Ru4",
"formula_reduced": "Tb(Al5Ru)2",
"formula_anonymous": "AB2C10",
"energy_above_hull": 2.541484415384616,
"spacegroup": 63
},
{
"id": "jvasp-112755",
"created_at": "2022-09-04T14:38:43.906392Z",
"updated_at": "2022-09-04T14:38:43.906409Z",
"structure_string": "Li2 Co8 O16\n1.0\n5.342411 -0.041855 1.590628\n2.870509 4.778119 -0.051352\n-0.087480 -0.045000 9.753730\nLi Co O\n2 8 16\ndirect\n0.999669 0.249499 0.249834 Li\n0.000331 0.750500 0.750166 Li\n0.499999 0.500002 0.500000 Co\n0.000003 -0.000001 0.500000 Co\n-0.000003 0.500002 0.000000 Co\n0.500002 -0.000003 0.000000 Co\n0.500016 0.750014 0.250008 Co\n0.500001 0.500001 0.000000 Co\n0.499999 -0.000002 0.500000 Co\n0.499985 0.249985 0.749992 Co\n0.711409 0.642729 0.380921 O\n0.261860 0.867536 0.605703 O\n0.261841 0.367513 0.105700 O\n0.288591 0.357271 0.619080 O\n0.288609 0.857236 0.119076 O\n0.711392 0.142763 0.880924 O\n0.738158 0.632487 0.894302 O\n0.263984 0.645992 0.381985 O\n0.261828 0.592323 0.880918 O\n0.261810 0.092319 0.380910 O\n0.263960 0.145978 0.881988 O\n0.738173 0.407677 0.119082 O\n0.736017 0.354008 0.618016 O\n0.736040 0.854021 0.118012 O\n0.738141 0.132463 0.394296 O\n0.738190 0.907679 0.619091 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.912312069536215,
"density_atomic": 0.10375139882226524,
"volume": 250.5990309059848,
"volume_molar": 5.804394763213196,
"formula_full": "Li2 Co8 O16",
"formula_reduced": "Li(CoO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.034581661538462,
"spacegroup": 166
}
]
}