{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=67","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=65","results":[{"id":"mp-20582","created_at":"2022-09-04T14:48:29.771150Z","structure_string":"La1 In1\n1.0\n3.961764 0.000000 0.000000\n0.000000 3.961764 0.000000\n0.000000 0.000000 3.961764\nLa In\n1 1\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 In\n","nsites":2,"nelements":2,"elements":["La","In"],"chemical_system":"In-La","density":6.775540348723317,"density_atomic":0.03216356588467912,"volume":62.18215999963752,"volume_molar":18.723486013932934,"formula_full":"La1 In1","formula_reduced":"LaIn","formula_anonymous":"AB","energy":-8.69761375,"energy_per_atom":-4.348806875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.69761375,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000995,"is_theoretical":false,"updated_at":"2021-11-28T01:39:51.198000Z","spacegroup":221},{"id":"mp-27618","created_at":"2022-09-04T14:48:29.406632Z","structure_string":"Na32 Ga8 O28\n1.0\n11.102867 0.000000 0.000000\n0.000000 8.736759 0.000000\n0.000000 3.073175 9.678465\nNa Ga O\n32 8 28\ndirect\n0.731665 0.498729 0.628025 Na\n0.996024 0.658436 0.018731 Na\n0.496024 0.341564 0.481269 Na\n0.003976 0.341564 0.981269 Na\n0.503976 0.658436 0.518731 Na\n0.524671 0.119987 0.075671 Na\n0.024671 0.880013 0.424329 Na\n0.475329 0.880013 0.924329 Na\n0.760370 0.892594 0.032916 Na\n0.260370 0.107406 0.467084 Na\n0.239630 0.107406 0.967084 Na\n0.739630 0.892594 0.532916 Na\n0.554686 0.744871 0.212134 Na\n0.054686 0.255129 0.287866 Na\n0.445314 0.255129 0.787866 Na\n0.945314 0.744871 0.712134 Na\n0.039217 0.915359 0.142977 Na\n0.539217 0.084641 0.357023 Na\n0.960783 0.084641 0.857023 Na\n0.460783 0.915359 0.642977 Na\n0.529569 0.431203 0.143761 Na\n0.029569 0.568797 0.356239 Na\n0.470431 0.568797 0.856239 Na\n0.970431 0.431203 0.643761 Na\n0.249924 0.714314 0.069932 Na\n0.749924 0.285686 0.430068 Na\n0.750076 0.285686 0.930068 Na\n0.250076 0.714314 0.569932 Na\n0.768335 0.498729 0.128025 Na\n0.268335 0.501271 0.371975 Na\n0.231665 0.501271 0.871975 Na\n0.975329 0.119987 0.575671 Na\n0.714472 0.690696 0.846539 Ga\n0.214472 0.309304 0.653461 Ga\n0.285528 0.309304 0.153461 Ga\n0.785528 0.690696 0.346539 Ga\n0.701479 0.093076 0.726119 Ga\n0.201479 0.906924 0.773881 Ga\n0.298521 0.906924 0.273881 Ga\n0.798521 0.093076 0.226119 Ga\n0.382492 0.325664 0.299303 O\n0.110492 0.895976 0.622431 O\n0.610492 0.104024 0.877569 O\n0.889508 0.104024 0.377569 O\n0.389508 0.895976 0.122431 O\n0.116361 0.328503 0.496925 O\n0.616361 0.671497 0.003075 O\n0.609586 0.106565 0.568051 O\n0.204986 0.104105 0.217045 O\n0.704986 0.895895 0.282955 O\n0.795014 0.895895 0.782955 O\n0.295014 0.104105 0.717045 O\n0.152850 0.455068 0.107164 O\n0.652850 0.544932 0.392836 O\n0.847150 0.544932 0.892836 O\n0.347150 0.455068 0.607164 O\n0.882492 0.674336 0.200697 O\n0.383639 0.328503 0.996925 O\n0.117508 0.325664 0.799303 O\n0.617508 0.674336 0.700697 O\n0.675719 0.247125 0.184255 O\n0.175719 0.752875 0.315745 O\n0.324281 0.752875 0.815745 O\n0.824281 0.247125 0.684255 O\n0.890414 0.106565 0.068051 O\n0.390414 0.893435 0.431949 O\n0.109586 0.893435 0.931949 O\n0.883639 0.671497 0.503075 O\n","nsites":68,"nelements":3,"elements":["Na","Ga","O"],"chemical_system":"Ga-Na-O","density":3.080105485468061,"density_atomic":0.07242974151693923,"volume":938.8408487430092,"volume_molar":8.314458444659223,"formula_full":"Na32 Ga8 O28","formula_reduced":"Na8Ga2O7","formula_anonymous":"A2B7C8","energy":-332.67975229,"energy_per_atom":-4.892349298382353,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-313.44375229,"band_gap":2.2590000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0512764,"is_theoretical":false,"updated_at":"2021-11-28T01:39:51.138000Z","spacegroup":14},{"id":"mp-1111076","created_at":"2022-09-04T14:48:30.697479Z","structure_string":"Li3 Ga1 F6\n1.0\n0.000000 3.851340 3.851340\n3.851340 0.000000 3.851340\n3.851340 3.851340 0.000000\nLi Ga F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ga\n0.246124 0.246124 0.753876 F\n0.246124 0.753876 0.753876 F\n0.753876 0.753876 0.246124 F\n0.246124 0.753876 0.246124 F\n0.753876 0.246124 0.753876 F\n0.753876 0.246124 0.246124 F\n","nsites":10,"nelements":3,"elements":["Li","Ga","F"],"chemical_system":"F-Ga-Li","density":2.972721126478376,"density_atomic":0.0875254643651508,"volume":114.25246438317221,"volume_molar":6.880444226923496,"formula_full":"Li3 Ga1 F6","formula_reduced":"Li3GaF6","formula_anonymous":"AB3C6","energy":-49.45922112,"energy_per_atom":-4.945922112,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.68722111999999,"band_gap":5.7707,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001848,"is_theoretical":true,"updated_at":"2021-11-28T01:39:51.137000Z","spacegroup":225},{"id":"mp-573751","created_at":"2022-09-04T14:48:30.188347Z","structure_string":"Al4 Te4 Cl28\n1.0\n12.915757 0.000000 0.000000\n0.000000 6.747966 0.000000\n0.000000 3.932569 13.826421\nAl Te Cl\n4 4 28\ndirect\n0.042778 0.627250 0.278261 Al\n0.542778 0.372750 0.221739 Al\n0.957222 0.372750 0.721739 Al\n0.457222 0.627250 0.778261 Al\n0.751875 0.911743 0.610732 Te\n0.748125 0.911743 0.110732 Te\n0.248125 0.088257 0.389268 Te\n0.251875 0.088257 0.889268 Te\n0.907442 0.056716 0.734574 Cl\n0.102348 0.427486 0.413894 Cl\n0.843945 0.108658 0.477998 Cl\n0.602348 0.572514 0.086106 Cl\n0.397652 0.427486 0.913894 Cl\n0.864552 0.790198 0.015004 Cl\n0.592558 0.056716 0.234574 Cl\n0.156055 0.891342 0.522002 Cl\n0.353496 0.818192 0.373141 Cl\n0.135448 0.209802 0.984996 Cl\n0.635448 0.790198 0.515004 Cl\n0.897652 0.572514 0.586106 Cl\n0.903333 0.477855 0.839158 Cl\n0.656055 0.108658 0.977998 Cl\n0.125484 0.372070 0.713921 Cl\n0.092558 0.943284 0.265426 Cl\n0.596667 0.477855 0.339158 Cl\n0.096667 0.522145 0.160842 Cl\n0.374516 0.372070 0.213921 Cl\n0.407442 0.943284 0.765426 Cl\n0.364552 0.209802 0.484996 Cl\n0.646504 0.181808 0.626859 Cl\n0.343945 0.891342 0.022002 Cl\n0.146504 0.818192 0.873141 Cl\n0.874516 0.627930 0.286079 Cl\n0.625484 0.627930 0.786079 Cl\n0.403333 0.522145 0.660842 Cl\n0.853496 0.181808 0.126859 Cl\n","nsites":36,"nelements":3,"elements":["Al","Te","Cl"],"chemical_system":"Al-Cl-Te","density":2.2199584577153897,"density_atomic":0.029874453748511103,"volume":1205.0429541927335,"volume_molar":20.158161922207984,"formula_full":"Al4 Te4 Cl28","formula_reduced":"AlTeCl7","formula_anonymous":"ABC7","energy":-133.38189387,"energy_per_atom":-3.7050526075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-116.18989387000002,"band_gap":3.2352,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003492,"is_theoretical":false,"updated_at":"2021-11-28T01:39:51.135000Z","spacegroup":14},{"id":"mp-1198058","created_at":"2022-09-04T14:48:28.044436Z","structure_string":"Ba12 Y4 Fe8 O30\n1.0\n6.072133 0.000000 0.000000\n0.000000 8.167569 0.000000\n0.000000 0.357506 18.701170\nBa Y Fe O\n12 4 8 30\ndirect\n0.278449 0.000000 0.250000 Ba\n0.721551 0.000000 0.750000 Ba\n0.327157 0.500000 0.250000 Ba\n0.672843 0.500000 0.750000 Ba\n0.750919 0.974074 0.088795 Ba\n0.750919 0.025926 0.411205 Ba\n0.249081 0.025926 0.911205 Ba\n0.249081 0.974074 0.588795 Ba\n0.250070 0.500952 0.577450 Ba\n0.250070 0.499048 0.922550 Ba\n0.749930 0.499048 0.422550 Ba\n0.749930 0.500952 0.077450 Ba\n0.251887 0.753641 0.409191 Y\n0.251887 0.246359 0.090809 Y\n0.748113 0.246359 0.590809 Y\n0.748113 0.753641 0.909191 Y\n0.253696 0.754395 0.059573 Fe\n0.253696 0.245605 0.440427 Fe\n0.746304 0.245605 0.940427 Fe\n0.746304 0.754395 0.559573 Fe\n0.774407 0.769553 0.265550 Fe\n0.774407 0.230447 0.234450 Fe\n0.225593 0.230447 0.734450 Fe\n0.225593 0.769553 0.765550 Fe\n0.798836 0.000000 0.250000 O\n0.201164 0.000000 0.750000 O\n0.765088 0.957542 0.608988 O\n0.765088 0.042458 0.891012 O\n0.234912 0.042458 0.391012 O\n0.234912 0.957542 0.108988 O\n0.245004 0.528619 0.089502 O\n0.245004 0.471381 0.410498 O\n0.754996 0.471381 0.910498 O\n0.754996 0.528619 0.589502 O\n0.053006 0.723871 0.306779 O\n0.053006 0.276129 0.193221 O\n0.946994 0.276129 0.693221 O\n0.946994 0.723871 0.806779 O\n0.553989 0.748639 0.337887 O\n0.553989 0.251361 0.162113 O\n0.446011 0.251361 0.662113 O\n0.446011 0.748639 0.837887 O\n0.488724 0.765385 0.501573 O\n0.488724 0.234615 0.998427 O\n0.511276 0.234615 0.498427 O\n0.511276 0.765385 0.001573 O\n0.013155 0.769049 0.992682 O\n0.013155 0.230951 0.507318 O\n0.986845 0.230951 0.007318 O\n0.986845 0.769049 0.492682 O\n0.337058 0.693130 0.680014 O\n0.337058 0.306870 0.819986 O\n0.662942 0.306870 0.319986 O\n0.662942 0.693130 0.180014 O\n","nsites":54,"nelements":4,"elements":["Ba","Y","Fe","O"],"chemical_system":"Ba-Fe-O-Y","density":5.246343784740942,"density_atomic":0.05822250597264854,"volume":927.476395903808,"volume_molar":10.343321125389295,"formula_full":"Ba12 Y4 Fe8 O30","formula_reduced":"Ba6Y2Fe4O15","formula_anonymous":"A2B4C6D15","energy":-412.92679009,"energy_per_atom":-7.646792409074074,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-374.26879009,"band_gap":2.464700000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0009572,"is_theoretical":false,"updated_at":"2021-11-28T01:39:51.098000Z","spacegroup":13},{"id":"mp-1041927","created_at":"2022-09-04T14:48:30.765107Z","structure_string":"Ca2 Co4 O8\n1.0\n-3.073271 3.113610 4.375052\n3.073271 -3.113610 4.375052\n3.073271 3.113610 -4.375052\nCa Co O\n2 4 8\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.135876 0.885876 0.250000 Co\n0.864124 0.114124 0.750000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.726278 0.210358 0.984080 O\n0.728049 0.239278 0.488771 O\n0.726278 0.742199 0.515920 O\n0.250507 0.239278 0.011229 O\n0.749493 0.760722 0.988771 O\n0.271951 0.760722 0.511229 O\n0.273722 0.257801 0.484080 O\n0.273722 0.789642 0.015920 O\n","nsites":14,"nelements":3,"elements":["Ca","Co","O"],"chemical_system":"Ca-Co-O","density":4.401597100958633,"density_atomic":0.08360259419120628,"volume":167.4589184156272,"volume_molar":7.203294130116166,"formula_full":"Ca2 Co4 O8","formula_reduced":"Ca(CoO2)2","formula_anonymous":"AB2C4","energy":-95.48494765,"energy_per_atom":-6.820353403571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.43694765,"band_gap":0.0983,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":16.0,"is_theoretical":true,"updated_at":"2021-11-28T01:39:51.057000Z","spacegroup":74},{"id":"mp-16486","created_at":"2022-09-04T14:48:30.397254Z","structure_string":"Ce1 Al8 Fe4\n1.0\n-4.378404 4.378404 2.511296\n4.378404 -4.378404 2.511296\n4.378404 4.378404 -2.511296\nCe Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.342766 0.000000 0.342766 Al\n0.000000 0.342766 0.342766 Al\n0.000000 0.657234 0.657234 Al\n0.657234 0.000000 0.657234 Al\n0.278259 0.500000 0.778259 Al\n0.500000 0.278259 0.778259 Al\n0.500000 0.721741 0.221741 Al\n0.721741 0.500000 0.221741 Al\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n","nsites":13,"nelements":3,"elements":["Ce","Al","Fe"],"chemical_system":"Al-Ce-Fe","density":4.9957337107744,"density_atomic":0.06750777469604394,"volume":192.57041220115676,"volume_molar":8.920662526819903,"formula_full":"Ce1 Al8 Fe4","formula_reduced":"Ce(Al2Fe)4","formula_anonymous":"AB4C8","energy":-75.1448368,"energy_per_atom":-5.780372061538461,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.1448368,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.241134,"is_theoretical":false,"updated_at":"2021-11-28T01:39:51.040000Z","spacegroup":139},{"id":"mp-9922","created_at":"2022-09-04T14:48:29.366263Z","structure_string":"Hf2 S6\n1.0\n3.611567 0.000000 0.000000\n0.000000 5.149210 0.000000\n0.000000 1.180892 9.633923\nHf S\n2 6\ndirect\n0.250000 0.716894 0.643291 Hf\n0.750000 0.283106 0.356709 Hf\n0.250000 0.116487 0.195640 S\n0.750000 0.883513 0.804360 S\n0.750000 0.761366 0.450333 S\n0.250000 0.238634 0.549667 S\n0.750000 0.478186 0.805773 S\n0.250000 0.521814 0.194227 S\n","nsites":8,"nelements":2,"elements":["Hf","S"],"chemical_system":"Hf-S","density":5.091838099042705,"density_atomic":0.04465298908955747,"volume":179.15933878368014,"volume_molar":13.486534457798111,"formula_full":"Hf2 S6","formula_reduced":"HfS3","formula_anonymous":"AB3","energy":-57.32105132,"energy_per_atom":-7.165131415,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-54.30305132,"band_gap":1.1326,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016493,"is_theoretical":false,"updated_at":"2021-11-28T01:39:51.038000Z","spacegroup":11},{"id":"mp-707170","created_at":"2022-09-04T14:48:29.446332Z","structure_string":"Cu2 H12 S2 O14\n1.0\n6.897100 2.776161 0.000000\n-6.897100 2.776161 0.000000\n0.000000 1.206305 7.126964\nCu H S O\n2 12 2 14\ndirect\n0.870320 0.148282 0.998833 Cu\n0.148282 0.870320 0.498833 Cu\n0.979494 0.166263 0.640480 H\n0.166263 0.979494 0.140480 H\n0.153680 0.464548 0.676372 H\n0.464548 0.153680 0.176372 H\n0.431203 0.260165 0.704309 H\n0.260165 0.431203 0.204309 H\n0.432099 0.352323 0.499137 H\n0.352323 0.432099 0.999137 H\n0.389411 0.764877 0.985191 H\n0.764877 0.389411 0.485191 H\n0.522261 0.916500 0.776285 H\n0.916500 0.522261 0.276285 H\n0.835608 0.622112 0.922957 S\n0.622112 0.835608 0.422957 S\n0.003907 0.673152 0.754129 O\n0.673152 0.003907 0.254129 O\n0.456651 0.816024 0.571118 O\n0.816024 0.456651 0.071118 O\n0.569146 0.472451 0.876784 O\n0.472451 0.569146 0.376784 O\n0.871369 0.957726 0.486435 O\n0.957726 0.871369 0.986435 O\n0.056997 0.285945 0.738137 O\n0.285945 0.056997 0.238137 O\n0.423060 0.224477 0.572506 O\n0.224477 0.423060 0.072506 O\n0.529814 0.943335 0.911626 O\n0.943335 0.529814 0.411626 O\n","nsites":30,"nelements":4,"elements":["Cu","H","S","O"],"chemical_system":"Cu-H-O-S","density":2.5998319889850023,"density_atomic":0.1099196969327833,"volume":272.926516694685,"volume_molar":5.47867300223961,"formula_full":"Cu2 H12 S2 O14","formula_reduced":"CuH6SO7","formula_anonymous":"ABC6D7","energy":-167.76521094999998,"energy_per_atom":-5.592173698333332,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-158.14721095,"band_gap":0.3167000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0090627,"is_theoretical":false,"updated_at":"2021-11-28T01:39:51.018000Z","spacegroup":9},{"id":"mp-1174622","created_at":"2022-09-04T14:48:29.130829Z","structure_string":"Li7 Mn2 Co3 O12\n1.0\n5.072906 0.000000 0.000000\n0.804305 6.470171 0.000000\n0.930517 0.662586 6.533288\nLi Mn Co O\n7 2 3 12\ndirect\n0.745313 0.585607 0.418611 Li\n0.739545 0.248883 0.740469 Li\n0.260455 0.751117 0.259531 Li\n0.254687 0.414393 0.581389 Li\n0.745817 0.915536 0.083895 Li\n0.254183 0.084464 0.916105 Li\n0.500000 0.000000 0.500000 Li\n0.001169 0.835045 0.661797 Mn\n0.998831 0.164955 0.338203 Mn\n0.000000 0.500000 0.000000 Co\n0.497775 0.674848 0.824795 Co\n0.502225 0.325152 0.175205 Co\n0.878978 0.557740 0.713263 O\n0.881970 0.206927 0.065649 O\n0.350646 0.714429 0.557025 O\n0.366981 0.391821 0.883554 O\n0.894431 0.886556 0.388916 O\n0.358894 0.063692 0.211921 O\n0.633019 0.608179 0.116446 O\n0.649354 0.285571 0.442975 O\n0.118030 0.793073 0.934351 O\n0.121022 0.442260 0.286737 O\n0.641106 0.936308 0.788079 O\n0.105569 0.113444 0.611084 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.082872506447991,"density_atomic":0.11191978437759391,"volume":214.43929805144217,"volume_molar":5.380765155589076,"formula_full":"Li7 Mn2 Co3 O12","formula_reduced":"Li7Mn2(CoO4)3","formula_anonymous":"A2B3C7D12","energy":-158.24998791,"energy_per_atom":-6.593749496249999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-141.75598791,"band_gap":1.5614,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9999653,"is_theoretical":true,"updated_at":"2021-11-28T01:39:51.018000Z","spacegroup":2},{"id":"mp-1180531","created_at":"2022-09-04T14:48:29.092483Z","structure_string":"Mn4 Ni2 O8\n1.0\n-2.890256 2.943425 4.643528\n2.890256 -2.943425 4.643528\n2.890256 2.943425 -4.643528\nMn Ni O\n4 2 8\ndirect\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.880392 0.130392 0.750000 Ni\n0.119608 0.869608 0.250000 Ni\n0.725205 0.748766 0.976439 O\n0.749056 0.270363 0.021307 O\n0.727673 0.251234 0.476439 O\n0.749056 0.727749 0.478693 O\n0.272327 0.748766 0.523561 O\n0.250944 0.272251 0.521307 O\n0.274795 0.251234 0.023561 O\n0.250944 0.729637 0.978693 O\n","nsites":14,"nelements":3,"elements":["Mn","Ni","O"],"chemical_system":"Mn-Ni-O","density":4.8879865957721735,"density_atomic":0.08859938147755138,"volume":158.01464712874107,"volume_molar":6.797046051078633,"formula_full":"Mn4 Ni2 O8","formula_reduced":"Mn2NiO4","formula_anonymous":"AB2C4","energy":-111.85515937,"energy_per_atom":-7.989654240714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-94.60515937,"band_gap":0.8203000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9994391,"is_theoretical":true,"updated_at":"2021-11-28T01:39:51.003000Z","spacegroup":74},{"id":"mp-1176250","created_at":"2022-09-04T14:48:30.032806Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n-2.949126 0.000000 0.000000\n1.356556 9.742603 0.000000\n-0.086039 -0.681140 -10.062032\nLi Mn Co O\n9 2 5 16\ndirect\n0.129400 0.242938 0.195762 Li\n0.885069 0.762409 0.311734 Li\n0.622697 0.246919 0.441291 Li\n0.364066 0.752574 0.560988 Li\n0.123547 0.255451 0.685155 Li\n0.855664 0.745680 0.808906 Li\n0.620447 0.245784 0.931492 Li\n0.389699 0.754216 0.066366 Li\n0.488528 0.989972 0.247633 Li\n0.004850 0.997250 0.007441 Mn\n0.751287 0.496301 0.125292 Mn\n0.250100 0.495478 0.385107 Co\n0.997338 0.001602 0.488505 Co\n0.750768 0.506225 0.633402 Co\n0.505548 0.007155 0.745767 Co\n0.244956 0.501889 0.869425 Co\n0.555360 0.108451 0.082558 O\n0.298598 0.602851 0.212813 O\n0.053272 0.114227 0.361153 O\n0.802977 0.615573 0.465446 O\n0.600225 0.114467 0.592513 O\n0.304688 0.627796 0.713593 O\n0.069829 0.113875 0.847377 O\n0.800859 0.610692 0.977763 O\n0.698133 0.383347 0.277277 O\n0.401089 0.885141 0.415119 O\n0.194514 0.383910 0.527820 O\n0.944473 0.895619 0.650242 O\n0.685619 0.380749 0.773212 O\n0.458613 0.893613 0.910359 O\n0.202684 0.386773 0.044798 O\n0.945101 0.881072 0.143692 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.152735272673548,"density_atomic":0.1106868301449959,"volume":289.10395173555077,"volume_molar":5.4407021613241655,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-204.91174315,"energy_per_atom":-6.4034919734375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-182.39374315,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.2072444,"is_theoretical":true,"updated_at":"2021-11-28T01:39:50.971000Z","spacegroup":1}]}