{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=10229","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=10227","results":[{"id":"mp-626218","created_at":"2022-09-04T14:40:13.376846Z","structure_string":"Sb4 H4 O12\n1.0\n0.000000 5.379589 5.380855\n4.992452 0.000000 5.380855\n4.992452 5.379589 0.000000\nSb H O\n4 4 12\ndirect\n0.253032 0.255398 0.996398 Sb\n0.754828 0.253602 0.994602 Sb\n0.255398 0.253032 0.495172 Sb\n0.253602 0.754828 0.996968 Sb\n0.511968 0.837538 0.585685 H\n0.837538 0.511968 0.064810 H\n0.185190 0.664315 0.412462 H\n0.664315 0.185190 0.738032 H\n0.352057 0.912638 0.656926 O\n0.912638 0.352057 0.078379 O\n0.942511 0.942511 0.057489 O\n0.320687 0.320687 0.679313 O\n0.310498 0.942051 0.067899 O\n0.942051 0.310498 0.679552 O\n0.171621 0.593074 0.337362 O\n0.593074 0.171621 0.897943 O\n0.570687 0.570687 0.929313 O\n0.192511 0.192511 0.307489 O\n0.182101 0.570448 0.939502 O\n0.570448 0.182101 0.307949 O\n","nsites":20,"nelements":3,"elements":["Sb","H","O"],"chemical_system":"H-O-Sb","density":3.9243394918661116,"density_atomic":0.06919675299275264,"volume":289.03090296873773,"volume_molar":8.702923908338203,"formula_full":"Sb4 H4 O12","formula_reduced":"SbHO3","formula_anonymous":"ABC3","energy":-121.3086982,"energy_per_atom":-6.06543491,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.0646982,"band_gap":1.4139000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002167,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.727000Z","spacegroup":43},{"id":"mp-756630","created_at":"2022-09-04T14:40:13.544061Z","structure_string":"Dy4 Al4 O12\n1.0\n5.219458 0.000000 0.000000\n0.000000 5.375738 0.000000\n0.000000 0.000000 7.448725\nDy Al O\n4 4 12\ndirect\n0.013369 0.946119 0.750000 Dy\n0.486631 0.446119 0.750000 Dy\n0.513369 0.553881 0.250000 Dy\n0.986631 0.053881 0.250000 Dy\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.087556 0.477028 0.250000 O\n0.206794 0.206704 0.546245 O\n0.206794 0.206704 0.953755 O\n0.293206 0.706704 0.546245 O\n0.293206 0.706704 0.953755 O\n0.412444 0.977028 0.250000 O\n0.587556 0.022972 0.750000 O\n0.706794 0.293296 0.046245 O\n0.706794 0.293296 0.453755 O\n0.793206 0.793296 0.046245 O\n0.793206 0.793296 0.453755 O\n0.912444 0.522972 0.750000 O\n","nsites":20,"nelements":3,"elements":["Dy","Al","O"],"chemical_system":"Al-Dy-O","density":7.547275593221389,"density_atomic":0.09569396585271153,"volume":208.99959388017453,"volume_molar":6.293124865646228,"formula_full":"Dy4 Al4 O12","formula_reduced":"DyAlO3","formula_anonymous":"ABC3","energy":-167.7504576,"energy_per_atom":-8.38752288,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-159.5064576,"band_gap":5.723000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:47.918000Z","spacegroup":62},{"id":"mp-8368","created_at":"2022-09-04T14:40:13.758744Z","structure_string":"Pr3 Ga1 C1\n1.0\n5.537393 0.000000 0.000000\n0.000000 5.537393 0.000000\n0.000000 0.000000 5.537393\nPr Ga C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 C\n","nsites":5,"nelements":3,"elements":["Pr","Ga","C"],"chemical_system":"C-Ga-Pr","density":4.933520156043145,"density_atomic":0.029447875087241143,"volume":169.79153793566402,"volume_molar":20.450170826108973,"formula_full":"Pr3 Ga1 C1","formula_reduced":"Pr3GaC","formula_anonymous":"ABC3","energy":-20.51508446,"energy_per_atom":-4.103016892,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.51508446,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005476,"is_theoretical":false,"updated_at":"2021-11-28T01:34:49.589000Z","spacegroup":221},{"id":"mp-567718","created_at":"2022-09-04T14:40:13.767798Z","structure_string":"K6 Ti6 Br18\n1.0\n6.699908 -11.604581 0.000000\n6.699908 11.604581 0.000000\n0.000000 0.000000 5.928911\nK Ti Br\n6 6 18\ndirect\n0.356728 0.999092 0.521713 K\n0.642364 0.643272 0.521713 K\n0.999092 0.642364 0.021713 K\n0.000908 0.357636 0.521713 K\n0.643272 0.000908 0.021713 K\n0.357636 0.356728 0.021713 K\n0.333333 0.666667 0.802233 Ti\n0.333333 0.666667 0.241134 Ti\n0.666667 0.333333 0.302233 Ti\n0.000000 0.000000 0.017242 Ti\n0.000000 0.000000 0.517242 Ti\n0.666667 0.333333 0.741134 Ti\n0.332105 0.838050 0.020787 Br\n0.667895 0.161950 0.520787 Br\n0.504284 0.171932 0.022401 Br\n0.495716 0.828068 0.522401 Br\n0.191350 0.096264 0.767429 Br\n0.828068 0.332353 0.022401 Br\n0.494055 0.332105 0.520787 Br\n0.505945 0.667895 0.020787 Br\n0.096264 0.904914 0.267429 Br\n0.171932 0.667647 0.522401 Br\n0.808650 0.903736 0.267429 Br\n0.161950 0.494055 0.020787 Br\n0.095086 0.191350 0.267429 Br\n0.903736 0.095086 0.767429 Br\n0.838050 0.505945 0.520787 Br\n0.904914 0.808650 0.767429 Br\n0.667647 0.495716 0.022401 Br\n0.332353 0.504284 0.522401 Br\n","nsites":30,"nelements":3,"elements":["K","Ti","Br"],"chemical_system":"Br-K-Ti","density":3.5303362740080293,"density_atomic":0.03254003565530471,"volume":921.9412147481581,"volume_molar":18.50686589219599,"formula_full":"K6 Ti6 Br18","formula_reduced":"KTiBr3","formula_anonymous":"ABC3","energy":-133.56120286,"energy_per_atom":-4.4520400953333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-123.94920286,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.8195294,"is_theoretical":false,"updated_at":"2021-11-28T01:34:54.630000Z","spacegroup":173},{"id":"mp-974757","created_at":"2022-09-04T14:40:14.143519Z","structure_string":"K4 Be4 H12\n1.0\n5.497438 0.000000 0.000000\n0.000000 6.861258 0.000000\n0.000000 2.476452 8.698569\nK Be H\n4 4 12\ndirect\n0.248592 0.769076 0.698215 K\n0.748592 0.230924 0.801785 K\n0.251408 0.769076 0.198215 K\n0.751408 0.230924 0.301785 K\n0.255941 0.245890 0.502971 Be\n0.755941 0.754110 0.997029 Be\n0.244059 0.245890 0.002971 Be\n0.744059 0.754110 0.497029 Be\n0.027162 0.182778 0.566472 H\n0.467079 0.161144 0.580526 H\n0.725941 0.624333 0.646142 H\n0.225941 0.375667 0.853858 H\n0.967079 0.838856 0.919474 H\n0.527162 0.817222 0.933528 H\n0.472838 0.182778 0.066472 H\n0.032921 0.161144 0.080526 H\n0.774059 0.624333 0.146142 H\n0.274059 0.375667 0.353858 H\n0.532921 0.838856 0.419474 H\n0.972838 0.817222 0.433528 H\n","nsites":20,"nelements":3,"elements":["K","Be","H"],"chemical_system":"Be-H-K","density":1.035164852651831,"density_atomic":0.06095622909478935,"volume":328.1042855997409,"volume_molar":9.879450959204402,"formula_full":"K4 Be4 H12","formula_reduced":"KBeH3","formula_anonymous":"ABC3","energy":-64.17594896,"energy_per_atom":-3.208797448,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.02794896,"band_gap":3.0876,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":8e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.284000Z","spacegroup":14},{"id":"mp-1215933","created_at":"2022-09-04T14:40:19.752336Z","structure_string":"Y1 Al3 Ag1\n1.0\n0.000000 -4.203734 0.000000\n-4.185893 0.000000 0.000000\n-2.092946 -2.101867 -5.662582\nY Al Ag\n1 3 1\ndirect\n0.000139 0.000139 0.999721 Y\n0.249852 0.749852 0.500296 Al\n0.609664 0.609664 0.780673 Al\n0.390142 0.390142 0.219717 Al\n0.750204 0.250204 0.499593 Ag\n","nsites":5,"nelements":3,"elements":["Y","Al","Ag"],"chemical_system":"Ag-Al-Y","density":4.628244711083616,"density_atomic":0.0501801725339828,"volume":99.64094875548548,"volume_molar":12.001036377309608,"formula_full":"Y1 Al3 Ag1","formula_reduced":"YAl3Ag","formula_anonymous":"ABC3","energy":-22.31208531,"energy_per_atom":-4.462417062,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.31208531,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001712,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.357000Z","spacegroup":119},{"id":"mp-22435","created_at":"2022-09-04T14:40:16.061371Z","structure_string":"Ce1 B1 Pt3\n1.0\n3.977593 0.000000 0.000000\n0.000000 3.977593 0.000000\n0.000000 0.000000 5.212601\nCe B Pt\n1 1 3\ndirect\n0.000000 0.000000 0.979304 Ce\n0.500000 0.500000 0.711928 B\n0.000000 0.500000 0.514646 Pt\n0.500000 0.500000 0.121375 Pt\n0.500000 0.000000 0.514646 Pt\n","nsites":5,"nelements":3,"elements":["Ce","B","Pt"],"chemical_system":"B-Ce-Pt","density":14.823042502431157,"density_atomic":0.060628222532802235,"volume":82.46984310474886,"volume_molar":9.93290007263826,"formula_full":"Ce1 B1 Pt3","formula_reduced":"CeBPt3","formula_anonymous":"ABC3","energy":-35.20589156,"energy_per_atom":-7.0411783119999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.20589156,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.6816705,"is_theoretical":false,"updated_at":"2021-11-28T01:34:54.329000Z","spacegroup":99},{"id":"mp-29164","created_at":"2022-09-04T14:40:14.249268Z","structure_string":"Sr4 Bi4 O12\n1.0\n6.203906 0.000000 0.000000\n0.000000 6.011083 0.000000\n0.000000 6.005459 8.600905\nSr Bi O\n4 4 12\ndirect\n0.550977 0.263023 0.750994 Sr\n0.050977 0.736977 0.749006 Sr\n0.449023 0.736977 0.249006 Sr\n0.949023 0.263023 0.250994 Sr\n0.000000 0.000000 0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.000000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.787685 0.370971 0.940179 O\n0.287685 0.629029 0.559821 O\n0.212315 0.629029 0.059821 O\n0.712315 0.370971 0.440179 O\n0.306667 0.263102 0.946343 O\n0.806667 0.736898 0.553657 O\n0.693333 0.736898 0.053657 O\n0.193333 0.263102 0.446343 O\n0.455352 0.846190 0.760591 O\n0.955352 0.153810 0.739409 O\n0.544648 0.153810 0.239409 O\n0.044648 0.846190 0.260591 O\n","nsites":20,"nelements":3,"elements":["Sr","Bi","O"],"chemical_system":"Bi-O-Sr","density":7.136093195830227,"density_atomic":0.06235451582887881,"volume":320.7466168911734,"volume_molar":9.657906376062199,"formula_full":"Sr4 Bi4 O12","formula_reduced":"SrBiO3","formula_anonymous":"ABC3","energy":-126.91775436,"energy_per_atom":-6.345887718,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-118.67375436,"band_gap":0.3106,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.74e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:46.383000Z","spacegroup":14},{"id":"mp-1193395","created_at":"2022-09-04T14:40:15.483184Z","structure_string":"Lu6 Fe6 O18\n1.0\n3.015082 -5.222276 0.000000\n3.015082 5.222276 0.000000\n0.000000 0.000000 11.741429\nLu Fe O\n6 6 18\ndirect\n0.000000 0.000000 0.223473 Lu\n0.000000 0.000000 0.723473 Lu\n0.666667 0.333333 0.266807 Lu\n0.333333 0.666667 0.266807 Lu\n0.333333 0.666667 0.766807 Lu\n0.666667 0.333333 0.766807 Lu\n0.666023 0.000000 0.498821 Fe\n0.333977 0.333977 0.498821 Fe\n0.000000 0.666023 0.498821 Fe\n0.333977 0.000000 0.998821 Fe\n0.666023 0.666023 0.998821 Fe\n0.000000 0.333977 0.998821 Fe\n0.695266 0.000000 0.331872 O\n0.304734 0.304734 0.331872 O\n0.000000 0.695266 0.331872 O\n0.304734 0.000000 0.831872 O\n0.695266 0.695266 0.831872 O\n0.000000 0.304734 0.831872 O\n0.361864 0.000000 0.163894 O\n0.638136 0.638136 0.163894 O\n0.000000 0.361864 0.163894 O\n0.638136 0.000000 0.663894 O\n0.361864 0.361864 0.663894 O\n0.000000 0.638136 0.663894 O\n0.000000 0.000000 0.024995 O\n0.000000 0.000000 0.524995 O\n0.666667 0.333333 0.476571 O\n0.333333 0.666667 0.476571 O\n0.333333 0.666667 0.976571 O\n0.666667 0.333333 0.976571 O\n","nsites":30,"nelements":3,"elements":["Lu","Fe","O"],"chemical_system":"Fe-Lu-O","density":7.512752905076955,"density_atomic":0.08113558167008829,"volume":369.75146270578716,"volume_molar":7.422317848767135,"formula_full":"Lu6 Fe6 O18","formula_reduced":"LuFeO3","formula_anonymous":"ABC3","energy":-254.06263249,"energy_per_atom":-8.468754416333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-228.16063249,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":29.9983975,"is_theoretical":false,"updated_at":"2021-11-28T01:34:52.211000Z","spacegroup":185},{"id":"mp-556422","created_at":"2022-09-04T14:40:19.713937Z","structure_string":"Nb4 Cl12 O4\n1.0\n11.501135 0.000000 0.000000\n0.000000 11.501135 0.000000\n0.000000 0.000000 4.001072\nNb Cl O\n4 12 4\ndirect\n0.623008 0.876992 0.695566 Nb\n0.123008 0.623008 0.304434 Nb\n0.376992 0.123008 0.695566 Nb\n0.876992 0.376992 0.304434 Nb\n0.098358 0.401642 0.237760 Cl\n0.820665 0.899598 0.754891 Cl\n0.179335 0.100402 0.754891 Cl\n0.401642 0.901642 0.762240 Cl\n0.901642 0.598358 0.237760 Cl\n0.600402 0.679335 0.754891 Cl\n0.399598 0.320665 0.754891 Cl\n0.899598 0.179335 0.245109 Cl\n0.598358 0.098358 0.762240 Cl\n0.679335 0.399598 0.245109 Cl\n0.320665 0.600402 0.245109 Cl\n0.100402 0.820665 0.245109 Cl\n0.114818 0.614818 0.752347 O\n0.614818 0.885182 0.247653 O\n0.385182 0.114818 0.247653 O\n0.885182 0.385182 0.752347 O\n","nsites":20,"nelements":3,"elements":["Nb","Cl","O"],"chemical_system":"Cl-Nb-O","density":2.7016202279706802,"density_atomic":0.037789594049070944,"volume":529.2462251388408,"volume_molar":15.935976322423752,"formula_full":"Nb4 Cl12 O4","formula_reduced":"NbCl3O","formula_anonymous":"ABC3","energy":-124.9727523,"energy_per_atom":-6.248637615,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-114.8567523,"band_gap":2.8034,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.2e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:55.734000Z","spacegroup":113},{"id":"mp-1245144","created_at":"2022-09-04T14:40:11.382646Z","structure_string":"Cr16 Fe16 O48\n1.0\n10.231062 -0.523644 -0.409521\n-0.536426 10.878338 -0.255727\n-0.398879 -0.265212 9.414511\nCr Fe O\n16 16 48\ndirect\n0.919094 0.333886 0.892231 Cr\n0.470588 0.169953 0.034586 Cr\n0.782148 0.110452 0.470519 Cr\n0.209530 0.974394 0.097306 Cr\n0.874495 0.365070 0.590402 Cr\n0.435269 0.708338 0.476557 Cr\n0.141776 0.833335 0.735236 Cr\n0.487520 0.184214 0.651012 Cr\n0.194117 0.785220 0.317964 Cr\n0.647044 0.487653 0.672005 Cr\n0.362754 0.970292 0.847079 Cr\n0.122293 0.525518 0.641642 Cr\n0.775076 0.792470 0.641841 Cr\n0.971286 0.153687 0.046187 Cr\n0.955800 0.978488 0.276324 Cr\n0.568657 0.945459 0.553677 Cr\n0.263773 0.338481 0.151675 Fe\n0.765018 0.578430 0.050626 Fe\n0.022082 0.281172 0.391549 Fe\n0.687189 0.795939 0.269342 Fe\n0.570199 0.506563 0.303566 Fe\n0.662911 0.927190 0.037240 Fe\n0.101875 0.551150 0.945115 Fe\n0.383189 0.690762 0.115557 Fe\n0.872321 0.606221 0.415085 Fe\n0.725140 0.300969 0.199422 Fe\n0.142212 0.531092 0.274916 Fe\n0.259532 0.031050 0.481836 Fe\n0.364123 0.377653 0.482701 Fe\n0.905773 0.839010 0.949376 Fe\n0.567658 0.726414 0.834100 Fe\n0.988325 0.044600 0.678823 Fe\n0.047805 0.675099 0.345397 O\n0.301693 0.838157 0.474193 O\n0.649549 0.575723 0.864548 O\n0.592121 0.115214 0.497348 O\n0.783084 0.286851 0.407524 O\n0.804410 0.589408 0.606934 O\n0.550848 0.317776 0.084675 O\n0.109694 0.652997 0.768497 O\n0.947514 0.148150 0.839215 O\n0.425525 0.384675 0.293350 O\n0.913464 0.502988 0.991233 O\n0.726991 0.838920 0.849790 O\n0.278985 0.507188 0.597165 O\n0.510894 0.790675 0.998889 O\n0.457922 0.006305 0.675055 O\n0.186737 0.363900 0.337312 O\n0.533379 0.556410 0.494745 O\n0.154553 0.991172 0.643093 O\n0.974245 0.151005 0.251413 O\n0.327986 0.815007 0.769219 O\n0.952096 0.859799 0.736564 O\n0.411329 0.162125 0.850679 O\n0.539014 0.844430 0.386064 O\n0.993491 0.471374 0.485146 O\n0.830494 0.245313 0.040978 O\n0.928853 0.008409 0.472304 O\n0.772527 0.359639 0.738919 O\n0.183514 0.957001 0.893391 O\n0.217917 0.794339 0.126504 O\n0.311679 0.173764 0.121184 O\n0.759576 0.504019 0.255202 O\n0.087304 0.289679 0.035347 O\n0.938204 0.212123 0.577337 O\n0.512315 0.360086 0.632030 O\n0.756963 0.964336 0.239702 O\n0.150036 0.959627 0.303564 O\n0.999980 0.982919 0.068198 O\n0.739978 0.967014 0.610625 O\n0.566853 0.772361 0.635446 O\n0.818801 0.746611 0.108971 O\n0.609836 0.095453 0.035621 O\n0.801570 0.760864 0.430968 O\n0.307478 0.649121 0.317603 O\n0.029812 0.410464 0.744166 O\n0.242269 0.507177 0.081284 O\n0.331242 0.203423 0.527441 O\n0.390671 0.982620 0.043863 O\n0.566636 0.645847 0.196275 O\n","nsites":80,"nelements":3,"elements":["Cr","Fe","O"],"chemical_system":"Cr-Fe-O","density":3.971338978378312,"density_atomic":0.0767327700449554,"volume":1042.579330227886,"volume_molar":7.848199350123566,"formula_full":"Cr16 Fe16 O48","formula_reduced":"CrFeO3","formula_anonymous":"ABC3","energy":-657.79811866,"energy_per_atom":-8.22247648325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-556.74211866,"band_gap":0.4407000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":112.0000102,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.311000Z","spacegroup":1},{"id":"mp-673798","created_at":"2022-09-04T14:40:13.522545Z","structure_string":"K6 Cl2 O2\n1.0\n5.211862 -5.216767 0.000000\n5.211862 5.216767 0.000000\n0.000000 0.000000 5.275614\nK Cl O\n6 2 2\ndirect\n0.293758 0.706242 0.000000 K\n0.213952 0.197754 0.000000 K\n0.802246 0.786048 0.000000 K\n0.525011 0.977439 0.500000 K\n0.022561 0.474989 0.500000 K\n0.705680 0.294320 0.000000 K\n0.999046 0.000954 0.500000 Cl\n0.496933 0.503067 0.500000 Cl\n0.005548 0.492435 0.000000 O\n0.507565 0.994452 0.000000 O\n","nsites":10,"nelements":3,"elements":["K","Cl","O"],"chemical_system":"Cl-K-O","density":1.953523186375165,"density_atomic":0.03485801435146067,"volume":286.8780734087042,"volume_molar":17.276201390248296,"formula_full":"K6 Cl2 O2","formula_reduced":"K3ClO","formula_anonymous":"ABC3","energy":-36.700712890000005,"energy_per_atom":-3.6700712890000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.09871289,"band_gap":1.0264,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001411,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.594000Z","spacegroup":38}]}