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{
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"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=37",
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"results": [
{
"id": "oqmd-694320",
"created_at": "2022-09-04T15:18:00.806083Z",
"updated_at": "2022-09-04T15:18:00.806101Z",
"structure_string": "Li8 Mn2 Fe2 O11\n1.0\n-5.035665 -8.632542 -0.013627\n-2.504747 4.308599 -0.009501\n1.689062 0.004096 -4.718404\nFe Li Mn O\n2 8 2 11\ndirect\n0.420362 0.175295 0.002553 Fe\n0.895219 0.149563 0.985247 Fe\n0.746559 0.499946 0.001972 Li\n0.822526 0.326325 0.494000 Li\n0.662004 0.652378 0.496318 Li\n0.502479 0.998281 0.499637 Li\n0.983892 0.957893 0.507896 Li\n0.357138 0.365434 0.511300 Li\n0.180642 0.717512 0.511436 Li\n0.261051 0.514863 0.971758 Li\n0.580345 0.832446 0.004210 Mn\n0.083162 0.796873 0.979053 Mn\n0.462071 0.589565 0.230534 O\n0.975424 0.582488 0.231195 O\n0.279970 0.931511 0.236443 O\n0.616440 0.223443 0.237980 O\n0.788010 0.926844 0.239786 O\n0.387650 0.767871 0.758793 O\n0.042248 0.415893 0.764403 O\n0.701536 0.065929 0.765410 O\n0.541449 0.439206 0.772083 O\n0.199862 0.072647 0.776880 O\n0.894671 0.775387 0.789108 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Fe",
"Li",
"Mn",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 3.676656213540704,
"density_atomic": 0.11239569840906735,
"volume": 204.63416594726644,
"volume_molar": 5.357981528867988,
"formula_full": "Li8 Mn2 Fe2 O11",
"formula_reduced": "Li8Mn2Fe2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -1.96744547243124,
"spacegroup": 1
},
{
"id": "oqmd-694274",
"created_at": "2022-09-04T15:18:00.424066Z",
"updated_at": "2022-09-04T15:18:00.424092Z",
"structure_string": "Ca16 Ti11 Fe5 O47\n1.0\n10.710173 0.025188 -0.013972\n0.025762 10.920349 0.005893\n-0.009925 0.004130 7.605540\nCa Fe O Ti\n16 5 47 11\ndirect\n0.500844 0.513377 0.238938 Ca\n0.251219 0.774406 0.240458 Ca\n0.259172 0.275468 0.241831 Ca\n0.996204 0.021802 0.246094 Ca\n0.750524 0.275110 0.246367 Ca\n0.751659 0.772110 0.247600 Ca\n0.492623 0.022245 0.248277 Ca\n0.000000 0.526240 0.249082 Ca\n0.507537 0.975991 0.748080 Ca\n0.507744 0.475443 0.749976 Ca\n0.744315 0.226631 0.750494 Ca\n0.001748 0.975535 0.752557 Ca\n0.749110 0.725958 0.754509 Ca\n0.000686 0.480683 0.757445 Ca\n0.245544 0.223021 0.759073 Ca\n0.236861 0.727610 0.761792 Ca\n0.748597 0.000290 0.000960 Fe\n0.510905 0.755344 0.499960 Fe\n0.000802 0.750555 0.500418 Fe\n0.251653 0.501825 0.998118 Fe\n0.750706 0.499635 0.999790 Fe\n0.392883 0.399357 0.035221 O\n0.348435 0.646704 0.036743 O\n0.853928 0.648601 0.040398 O\n0.394948 0.892669 0.040571 O\n0.896772 0.896445 0.041539 O\n0.353411 0.145184 0.041769 O\n0.901855 0.398371 0.044185 O\n0.856323 0.149752 0.046444 O\n0.536612 0.243268 0.247762 O\n0.711843 0.489601 0.249505 O\n0.706848 0.988593 0.250624 O\n0.212066 0.989008 0.251026 O\n0.039757 0.740972 0.251814 O\n0.045752 0.240461 0.253893 O\n0.529076 0.728587 0.260027 O\n0.220304 0.504359 0.262333 O\n0.398565 0.880703 0.451142 O\n0.354193 0.143354 0.455513 O\n0.398550 0.400456 0.456224 O\n0.851858 0.150209 0.456242 O\n0.900280 0.399384 0.459027 O\n0.848387 0.647957 0.459436 O\n0.899275 0.902159 0.459528 O\n0.591138 0.605900 0.537979 O\n0.646629 0.355301 0.539043 O\n0.602745 0.105025 0.539871 O\n0.152243 0.852546 0.543391 O\n0.109235 0.603813 0.544594 O\n0.102163 0.100740 0.545214 O\n0.652699 0.853476 0.546483 O\n0.148147 0.347039 0.552082 O\n0.302174 0.524294 0.735087 O\n0.454716 0.757905 0.737707 O\n0.457642 0.260209 0.747957 O\n0.786161 0.511024 0.748829 O\n0.294148 0.008693 0.749447 O\n0.963166 0.758481 0.750666 O\n0.789421 0.012604 0.750776 O\n0.960290 0.262209 0.750883 O\n0.105926 0.106426 0.955822 O\n0.600275 0.103331 0.956278 O\n0.645533 0.351217 0.959053 O\n0.641893 0.848985 0.959704 O\n0.152752 0.360133 0.960487 O\n0.599031 0.603248 0.960511 O\n0.107057 0.601810 0.960815 O\n0.145133 0.856175 0.964229 O\n0.995460 0.751523 0.003400 Ti\n0.996022 0.251946 0.004209 Ti\n0.752961 0.502054 0.497346 Ti\n0.752097 0.998020 0.499295 Ti\n0.993778 0.247383 0.499615 Ti\n0.498750 0.249627 0.499634 Ti\n0.244721 0.998565 0.502464 Ti\n0.239338 0.483593 0.510736 Ti\n0.499487 0.746848 0.991076 Ti\n0.502802 0.247994 0.996014 Ti\n0.250422 0.000406 0.998845 Ti\n",
"nsites": 79,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"O",
"Ti"
],
"chemical_system": "Ca-Fe-O-Ti",
"density": 4.104979107492621,
"density_atomic": 0.08881111243608715,
"volume": 889.5283240242294,
"volume_molar": 6.78084149022886,
"formula_full": "Ca16 Ti11 Fe5 O47",
"formula_reduced": "Ca16Ti11Fe5O47",
"formula_anonymous": "A5B11C16D47",
"formation_energy": -3.0167817262028,
"spacegroup": 1
},
{
"id": "oqmd-694238",
"created_at": "2022-09-04T15:18:00.838683Z",
"updated_at": "2022-09-04T15:18:00.838710Z",
"structure_string": "Li8 Ta4 O11\n1.0\n-5.223974 -8.834246 -0.095641\n-2.605888 4.413437 -0.039204\n1.689075 -0.003623 -4.908984\nLi O Ta\n8 11 4\ndirect\n0.991620 0.988224 0.496464 Li\n0.498693 0.993301 0.497546 Li\n0.335786 0.345420 0.498393 Li\n0.672705 0.660295 0.499526 Li\n0.169775 0.664378 0.502782 Li\n0.826718 0.338623 0.503509 Li\n0.252317 0.504063 0.984791 Li\n0.751156 0.504484 0.999106 Li\n0.465077 0.585128 0.227377 O\n0.294202 0.936047 0.230758 O\n0.792380 0.934801 0.231689 O\n0.971493 0.589541 0.236296 O\n0.628610 0.257137 0.263950 O\n0.368206 0.737376 0.731933 O\n0.873518 0.745569 0.745060 O\n0.700110 0.056744 0.761640 O\n0.531359 0.409668 0.766825 O\n0.032115 0.405250 0.771565 O\n0.207420 0.067890 0.775709 O\n0.927461 0.158909 0.005102 Ta\n0.079560 0.858670 0.006728 Ta\n0.575805 0.850399 0.997629 Ta\n0.425819 0.151892 0.998918 Ta\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Ta"
],
"chemical_system": "Li-O-Ta",
"density": 6.973273865373736,
"density_atomic": 0.10110434245628229,
"volume": 227.48775612625386,
"volume_molar": 5.956362124212405,
"formula_full": "Li8 Ta4 O11",
"formula_reduced": "Li8Ta4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.41239678889854,
"spacegroup": 1
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{
"id": "oqmd-694249",
"created_at": "2022-09-04T15:18:00.860748Z",
"updated_at": "2022-09-04T15:18:00.860767Z",
"structure_string": "Li8 Ti4 O11\n1.0\n-5.095026 -8.813841 0.028403\n-2.483476 4.369799 -0.009640\n1.711972 0.025787 -4.769957\nLi O Ti\n8 11 4\ndirect\n0.749629 0.501508 0.003186 Li\n0.680171 0.660071 0.492591 Li\n0.997917 0.002236 0.498681 Li\n0.831232 0.333687 0.498682 Li\n0.167727 0.653875 0.499183 Li\n0.503379 0.035640 0.512567 Li\n0.318146 0.321588 0.517746 Li\n0.237570 0.495076 0.991632 Li\n0.965961 0.579126 0.233160 O\n0.790427 0.925792 0.233418 O\n0.116051 0.231612 0.236154 O\n0.610143 0.210666 0.236807 O\n0.293340 0.945506 0.238832 O\n0.388572 0.765489 0.757126 O\n0.714865 0.066655 0.758508 O\n0.533263 0.417261 0.761605 O\n0.888963 0.773955 0.766547 O\n0.038709 0.431626 0.772346 O\n0.216378 0.087376 0.780456 O\n0.912453 0.161605 0.001216 Ti\n0.082803 0.834043 0.002845 Ti\n0.582405 0.830379 0.981194 Ti\n0.414402 0.157455 0.995277 Ti\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Ti"
],
"chemical_system": "Li-O-Ti",
"density": 3.336157211337122,
"density_atomic": 0.1092435393452876,
"volume": 210.5387662999784,
"volume_molar": 5.512582983022671,
"formula_full": "Li8 Ti4 O11",
"formula_reduced": "Li8Ti4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.68424644347006,
"spacegroup": 1
},
{
"id": "oqmd-694266",
"created_at": "2022-09-04T15:18:00.881580Z",
"updated_at": "2022-09-04T15:18:00.881606Z",
"structure_string": "Li8 Zn4 O11\n1.0\n-5.069546 -8.735156 -0.114087\n-2.508012 4.351853 0.015012\n1.671964 -0.033513 -4.724040\nLi O Zn\n8 11 4\ndirect\n0.748346 0.496439 0.002453 Li\n0.662548 0.658947 0.490348 Li\n0.831546 0.324787 0.497762 Li\n0.503067 0.000836 0.502743 Li\n0.984643 0.966406 0.513839 Li\n0.173826 0.711312 0.516540 Li\n0.353349 0.358808 0.516563 Li\n0.259250 0.521773 0.971739 Li\n0.458496 0.582920 0.231097 O\n0.281654 0.942016 0.240084 O\n0.616749 0.229370 0.244060 O\n0.974848 0.575375 0.246660 O\n0.805373 0.933441 0.249634 O\n0.369829 0.763850 0.731612 O\n0.699868 0.062463 0.750754 O\n0.039683 0.386801 0.756407 O\n0.541624 0.431254 0.765559 O\n0.202274 0.089241 0.771264 O\n0.887637 0.757613 0.782801 O\n0.584724 0.837799 0.002116 Zn\n0.906556 0.155113 0.985600 Zn\n0.081050 0.811677 0.987932 Zn\n0.415838 0.167315 0.996956 Zn\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Zn"
],
"chemical_system": "Li-O-Zn",
"density": 3.9311228778795955,
"density_atomic": 0.11041035426893166,
"volume": 208.31379585992295,
"volume_molar": 5.454326090949397,
"formula_full": "Li8 Zn4 O11",
"formula_reduced": "Li8Zn4O11",
"formula_anonymous": "A4B8C11",
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"spacegroup": 1
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{
"id": "oqmd-694252",
"created_at": "2022-09-04T15:18:01.397675Z",
"updated_at": "2022-09-04T15:18:01.397696Z",
"structure_string": "Li8 Tl4 O11\n1.0\n-5.535928 -9.423294 -0.003394\n-2.768367 4.711953 -0.008135\n1.868654 0.003661 -4.946265\nLi O Tl\n8 11 4\ndirect\n0.500050 0.999148 0.494585 Li\n0.371799 0.397419 0.496343 Li\n0.190660 0.751304 0.502215 Li\n0.817774 0.311314 0.506947 Li\n0.674026 0.657764 0.507159 Li\n0.971589 0.938276 0.524021 Li\n0.250999 0.476411 0.907320 Li\n0.740201 0.486182 0.986390 Li\n0.442039 0.594873 0.224111 O\n0.628646 0.260537 0.258522 O\n0.802405 0.920893 0.275730 O\n0.294784 0.986884 0.279759 O\n0.979963 0.594098 0.288683 O\n0.359816 0.736907 0.705992 O\n0.546088 0.427847 0.738763 O\n0.194869 0.071695 0.745285 O\n0.701327 0.074781 0.746390 O\n0.867503 0.715895 0.761154 O\n0.046441 0.372855 0.786171 O\n0.582061 0.837352 0.000259 Tl\n0.911761 0.153253 0.018891 Tl\n0.415323 0.168234 0.988822 Tl\n0.080354 0.807034 0.992566 Tl\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Tl"
],
"chemical_system": "Li-O-Tl",
"density": 6.74589948516634,
"density_atomic": 0.08906775625692051,
"volume": 258.2303738926051,
"volume_molar": 6.761302869950857,
"formula_full": "Li8 Tl4 O11",
"formula_reduced": "Li8Tl4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -1.37612290933332,
"spacegroup": 1
},
{
"id": "oqmd-694491",
"created_at": "2022-09-04T15:18:01.765116Z",
"updated_at": "2022-09-04T15:18:01.765144Z",
"structure_string": "Tc4 O11\n1.0\n-5.342552 -8.955376 -0.201309\n-2.638125 4.457875 0.113849\n1.812077 -0.097526 -4.394543\nO Tc\n11 4\ndirect\n0.294326 0.955288 0.213330 O\n0.984025 0.598140 0.218884 O\n0.096690 0.183170 0.232206 O\n0.793449 0.997246 0.234952 O\n0.596981 0.197393 0.297045 O\n0.399110 0.770935 0.661918 O\n0.206867 0.987437 0.733231 O\n0.909292 0.823040 0.751665 O\n0.017579 0.401556 0.759985 O\n0.709451 0.047520 0.761185 O\n0.503580 0.483006 0.964893 O\n0.926220 0.182214 0.031530 Tc\n0.078359 0.818917 0.953480 Tc\n0.408136 0.077865 0.963937 Tc\n0.591002 0.898362 0.993044 Tc\n",
"nsites": 15,
"nelements": 2,
"elements": [
"O",
"Tc"
],
"chemical_system": "O-Tc",
"density": 4.531169722209342,
"density_atomic": 0.07206247964507512,
"volume": 208.15270406844968,
"volume_molar": 8.356832556498858,
"formula_full": "Tc4 O11",
"formula_reduced": "Tc4O11",
"formula_anonymous": "A4B11",
"formation_energy": -1.45049486164442,
"spacegroup": 1
},
{
"id": "oqmd-694135",
"created_at": "2022-09-04T15:18:00.600870Z",
"updated_at": "2022-09-04T15:18:00.600894Z",
"structure_string": "Ba4 Li8 O11\n1.0\n-5.691133 -12.311368 -1.135512\n-3.031091 6.233333 -0.246755\n1.347065 -0.117922 -3.963478\nBa Li O\n4 8 11\ndirect\n0.952934 0.301744 0.087099 Ba\n0.409998 0.099584 0.121590 Ba\n0.563950 0.784457 0.126770 Ba\n0.100973 0.903516 0.887253 Ba\n0.232527 0.475226 0.022959 Li\n0.775272 0.533453 0.136750 Li\n0.951705 0.927958 0.404105 Li\n0.230911 0.634790 0.542564 Li\n0.327543 0.434352 0.543655 Li\n0.792135 0.368926 0.568654 Li\n0.737365 0.772305 0.647697 Li\n0.581615 0.098603 0.687469 Li\n0.193801 0.715461 0.168747 O\n0.791307 0.834455 0.197911 O\n0.639188 0.282115 0.339144 O\n0.146435 0.249458 0.370444 O\n0.928443 0.618541 0.379698 O\n0.604316 0.396140 0.603281 O\n0.082895 0.286865 0.631702 O\n0.412891 0.796687 0.657062 O\n0.716618 0.058921 0.718624 O\n0.865317 0.821852 0.934850 O\n0.333175 0.347219 0.981793 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Ba",
"Li",
"O"
],
"chemical_system": "Ba-Li-O",
"density": 4.29487104392496,
"density_atomic": 0.0761855680094212,
"volume": 301.89444800301015,
"volume_molar": 7.904568958854904,
"formula_full": "Ba4 Li8 O11",
"formula_reduced": "Ba4Li8O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -1.94644395150723,
"spacegroup": 1
},
{
"id": "oqmd-694334",
"created_at": "2022-09-04T15:18:00.643609Z",
"updated_at": "2022-09-04T15:18:00.643640Z",
"structure_string": "Li8 Mn2 Sn2 O11\n1.0\n-5.053271 -8.798765 0.065436\n-2.618373 4.452350 -0.028641\n1.750172 0.015248 -4.805563\nLi Mn O Sn\n8 2 11 2\ndirect\n0.336451 0.382936 0.503048 Li\n0.834139 0.336574 0.504822 Li\n0.666720 0.641287 0.505410 Li\n0.993847 0.005200 0.506651 Li\n0.151907 0.624471 0.519409 Li\n0.521834 0.047908 0.533610 Li\n0.243224 0.463814 0.967840 Li\n0.753874 0.506374 0.997598 Li\n0.917936 0.168227 0.001945 Mn\n0.409576 0.159975 0.981962 Mn\n0.449237 0.544303 0.220171 O\n0.801019 0.939913 0.234132 O\n0.598687 0.216023 0.235479 O\n0.958925 0.552436 0.235624 O\n0.114017 0.251200 0.241384 O\n0.212750 0.070533 0.735621 O\n0.538587 0.424123 0.746933 O\n0.375735 0.776879 0.755846 O\n0.720248 0.083872 0.767598 O\n0.033472 0.405048 0.776385 O\n0.890402 0.789164 0.777934 O\n0.581715 0.826737 0.000000 Sn\n0.097809 0.846216 0.020858 Sn\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"Sn"
],
"chemical_system": "Li-Mn-O-Sn",
"density": 4.393641893764007,
"density_atomic": 0.10513849342661381,
"volume": 218.75907910030966,
"volume_molar": 5.727817247261039,
"formula_full": "Li8 Mn2 Sn2 O11",
"formula_reduced": "Li8Mn2Sn2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.02567641273011,
"spacegroup": 1
},
{
"id": "oqmd-694206",
"created_at": "2022-09-04T15:18:00.727683Z",
"updated_at": "2022-09-04T15:18:00.727717Z",
"structure_string": "Li8 Pb4 O11\n1.0\n-5.632961 -9.526597 -0.120077\n-2.709343 4.700340 0.048218\n1.864306 -0.036436 -5.022759\nLi O Pb\n8 11 4\ndirect\n0.932559 0.860229 0.457053 Li\n0.485605 0.962890 0.488572 Li\n0.660602 0.630062 0.505632 Li\n0.839973 0.347113 0.506346 Li\n0.168595 0.717085 0.523866 Li\n0.362677 0.347558 0.524855 Li\n0.242141 0.496523 0.910194 Li\n0.734683 0.484410 0.943614 Li\n0.800159 0.930870 0.244719 O\n0.621507 0.247115 0.248383 O\n0.302704 0.926667 0.259452 O\n0.473499 0.591301 0.266167 O\n0.972444 0.566766 0.280941 O\n0.858494 0.738888 0.735546 O\n0.383006 0.752177 0.745602 O\n0.224093 0.108845 0.750347 O\n0.708754 0.089146 0.759167 O\n0.544001 0.422500 0.760146 O\n0.050968 0.464578 0.787442 O\n0.415838 0.163904 0.002447 Pb\n0.589103 0.840615 0.013478 Pb\n0.094589 0.897660 0.055705 Pb\n0.911568 0.168218 0.978602 Pb\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Pb"
],
"chemical_system": "Li-O-Pb",
"density": 6.69973089591754,
"density_atomic": 0.0875182390957519,
"volume": 262.80236254337996,
"volume_molar": 6.881012257812111,
"formula_full": "Li8 Pb4 O11",
"formula_reduced": "Li8Pb4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -1.61707797063767,
"spacegroup": 1
},
{
"id": "oqmd-694336",
"created_at": "2022-09-04T15:18:00.467398Z",
"updated_at": "2022-09-04T15:18:00.467428Z",
"structure_string": "Li8 Mn2 Sn2 O11\n1.0\n-5.215575 -9.022989 -0.068940\n-2.581520 4.496289 -0.000661\n1.728376 -0.013139 -4.855783\nLi Mn O Sn\n8 2 11 2\ndirect\n0.673476 0.655179 0.500529 Li\n0.832481 0.332654 0.500788 Li\n0.492198 0.020464 0.501739 Li\n0.987669 0.013939 0.502282 Li\n0.336830 0.335124 0.503636 Li\n0.173398 0.659862 0.503987 Li\n0.252023 0.502056 0.995575 Li\n0.750171 0.498040 0.999128 Li\n0.917045 0.161869 0.998845 Mn\n0.419005 0.169033 0.999356 Mn\n0.297972 0.934384 0.231992 O\n0.800059 0.936685 0.234038 O\n0.457650 0.552736 0.234091 O\n0.607085 0.233924 0.235833 O\n0.963346 0.559400 0.240991 O\n0.712619 0.074412 0.757238 O\n0.379840 0.778885 0.760575 O\n0.883549 0.780325 0.761861 O\n0.222265 0.082441 0.763636 O\n0.036445 0.408232 0.770123 O\n0.530382 0.402575 0.770685 O\n0.587284 0.839516 0.997106 Sn\n0.078814 0.833749 0.999340 Sn\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"Sn"
],
"chemical_system": "Li-Mn-O-Sn",
"density": 4.2244351591622555,
"density_atomic": 0.10108942853151734,
"volume": 227.52131784807878,
"volume_molar": 5.957240878181873,
"formula_full": "Li8 Mn2 Sn2 O11",
"formula_reduced": "Li8Mn2Sn2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.00803052316489,
"spacegroup": 1
},
{
"id": "oqmd-694267",
"created_at": "2022-09-04T15:18:00.470626Z",
"updated_at": "2022-09-04T15:18:00.470666Z",
"structure_string": "Li8 Zr4 O11\n1.0\n-5.452788 -9.386233 0.004971\n-2.664528 4.657276 -0.004480\n1.827823 0.016038 -4.885947\nLi O Zr\n8 11 4\ndirect\n0.993483 0.994756 0.492525 Li\n0.682959 0.659174 0.494517 Li\n0.823549 0.331697 0.496344 Li\n0.173303 0.648383 0.500793 Li\n0.504519 0.033728 0.515265 Li\n0.312453 0.326228 0.517474 Li\n0.240019 0.490830 0.992205 Li\n0.749552 0.503495 0.999181 Li\n0.791668 0.926698 0.235488 O\n0.963561 0.582087 0.235605 O\n0.116278 0.235722 0.245312 O\n0.612852 0.214992 0.245394 O\n0.292164 0.946735 0.248398 O\n0.387024 0.765559 0.749723 O\n0.714305 0.069358 0.752186 O\n0.886189 0.768573 0.754010 O\n0.538483 0.412592 0.759015 O\n0.042539 0.427203 0.766969 O\n0.215343 0.087116 0.772581 O\n0.416416 0.166173 0.006160 Zr\n0.581240 0.825671 0.984881 Zr\n0.914669 0.166729 0.998885 Zr\n0.084243 0.836208 0.999782 Zr\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Zr"
],
"chemical_system": "Li-O-Zr",
"density": 4.020842099386422,
"density_atomic": 0.09337819007392417,
"volume": 246.31019279546672,
"volume_molar": 6.449194137552341,
"formula_full": "Li8 Zr4 O11",
"formula_reduced": "Li8Zr4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.70668260194201,
"spacegroup": 1
}
]
}