{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume_molar&page=10205","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume_molar&page=10203","results":[{"id":"mp-14532","created_at":"2022-09-04T14:39:14.014514Z","structure_string":"Na2 Ta6 O16\n1.0\n-3.542789 3.656080 5.259524\n3.542789 -3.656080 5.259524\n3.542789 3.656080 -5.259524\nNa Ta O\n2 6 16\ndirect\n0.000000 0.250000 0.250000 Na\n0.000000 0.750000 0.750000 Na\n0.501797 0.762837 0.738959 Ta\n0.498203 0.237163 0.261041 Ta\n0.976122 0.737163 0.238959 Ta\n0.023878 0.262837 0.761041 Ta\n0.500000 0.250000 0.750000 Ta\n0.500000 0.750000 0.250000 Ta\n0.448091 0.846052 0.009465 O\n0.551909 0.561373 0.397961 O\n0.163412 0.653948 0.102039 O\n0.836588 0.938627 0.490535 O\n0.551909 0.153948 0.990535 O\n0.448091 0.438627 0.602039 O\n0.836588 0.346052 0.897961 O\n0.163412 0.061373 0.509465 O\n0.184536 0.173684 0.010852 O\n0.815464 0.826316 0.989148 O\n0.837169 0.326316 0.510852 O\n0.162831 0.673684 0.489148 O\n0.314598 0.430520 0.884078 O\n0.685402 0.569480 0.115922 O\n0.453558 0.069480 0.384078 O\n0.546442 0.930520 0.615922 O\n","nsites":24,"nelements":3,"elements":["Na","Ta","O"],"chemical_system":"Na-O-Ta","density":8.45597881898847,"density_atomic":0.08807321124789418,"volume":272.5005669709112,"volume_molar":6.837653214494309,"formula_full":"Na2 Ta6 O16","formula_reduced":"NaTa3O8","formula_anonymous":"AB3C8","energy":-229.97769924,"energy_per_atom":-9.582404134999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-218.98569924000003,"band_gap":2.68,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:34:32.196000Z","spacegroup":72},{"id":"mp-997161","created_at":"2022-09-04T14:46:11.433601Z","structure_string":"Co1 Au1 O2\n1.0\n6.203305 -1.460570 0.000000\n6.203305 1.460570 0.000000\n5.859413 0.000000 2.506299\nCo Au O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Au\n0.885140 0.885140 0.885140 O\n0.114860 0.114860 0.114860 O\n","nsites":4,"nelements":3,"elements":["Co","Au","O"],"chemical_system":"Au-Co-O","density":10.526408235751209,"density_atomic":0.08807478750025831,"volume":45.41594834944414,"volume_molar":6.837530842731058,"formula_full":"Co1 Au1 O2","formula_reduced":"CoAuO2","formula_anonymous":"ABC2","energy":-24.1176872,"energy_per_atom":-6.0294218,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.1056872,"band_gap":0.5045999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.003244,"is_theoretical":true,"updated_at":"2021-11-28T01:37:24.705000Z","spacegroup":166},{"id":"mp-32495","created_at":"2022-09-04T14:46:08.601074Z","structure_string":"Li6 V6 P8 O32\n1.0\n4.982657 0.000000 0.000000\n0.000000 8.230306 0.000000\n0.000000 5.831144 14.397072\nLi V P O\n6 6 8 32\ndirect\n0.521908 0.298415 0.877840 Li\n0.021908 0.701585 0.622160 Li\n0.978092 0.298415 0.377840 Li\n0.478092 0.701585 0.122160 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 V\n0.926597 0.821829 0.208213 V\n0.426597 0.178171 0.291787 V\n0.573403 0.821829 0.708213 V\n0.500000 0.500000 0.000000 V\n0.073403 0.178171 0.791787 V\n0.504902 0.526516 0.349844 P\n0.495098 0.473484 0.650156 P\n0.995098 0.526516 0.849844 P\n0.511133 0.927003 0.892772 P\n0.011133 0.072997 0.607228 P\n0.488867 0.072997 0.107228 P\n0.988867 0.927003 0.392772 P\n0.004902 0.473484 0.150156 P\n0.427601 0.907911 0.800678 O\n0.082182 0.653814 0.158007 O\n0.201792 0.522719 0.372142 O\n0.582182 0.346186 0.341993 O\n0.203571 0.000133 0.111667 O\n0.917818 0.346186 0.841993 O\n0.796429 0.999867 0.888333 O\n0.583022 0.677643 0.257140 O\n0.468460 0.758338 0.978745 O\n0.327196 0.451649 0.573123 O\n0.703571 0.999867 0.388333 O\n0.672804 0.548351 0.426877 O\n0.072399 0.907911 0.300678 O\n0.572399 0.092089 0.199322 O\n0.296429 0.000133 0.611667 O\n0.083022 0.322357 0.242860 O\n0.172804 0.451649 0.073123 O\n0.298208 0.522719 0.872142 O\n0.916978 0.677643 0.757140 O\n0.968460 0.241662 0.521255 O\n0.827196 0.548351 0.926877 O\n0.531540 0.241662 0.021255 O\n0.927601 0.092089 0.699322 O\n0.694180 0.934815 0.096756 O\n0.417818 0.653814 0.658007 O\n0.305820 0.065185 0.903244 O\n0.798208 0.477281 0.627858 O\n0.416978 0.322357 0.742860 O\n0.701792 0.477281 0.127858 O\n0.031540 0.758338 0.478745 O\n0.194180 0.065185 0.403244 O\n0.805820 0.934815 0.596756 O\n","nsites":52,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":3.113661658089171,"density_atomic":0.08807490688940982,"volume":590.4065282214056,"volume_molar":6.837521574177339,"formula_full":"Li6 V6 P8 O32","formula_reduced":"Li3V3(PO4)4","formula_anonymous":"A3B3C4D16","energy":-407.49700779,"energy_per_atom":-7.836480919038461,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-375.31300779,"band_gap":2.1668000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0001435,"is_theoretical":true,"updated_at":"2021-11-28T01:37:22.831000Z","spacegroup":14},{"id":"mp-558748","created_at":"2022-09-04T14:46:40.068250Z","structure_string":"Sc6 O9\n1.0\n1.607157 6.696746 0.000000\n-1.607157 6.696746 0.000000\n0.000000 1.489238 7.912004\nSc O\n6 9\ndirect\n0.030786 0.030786 0.183952 Sc\n0.363674 0.363674 0.487189 Sc\n0.692016 0.692016 0.863665 Sc\n0.969214 0.969214 0.816048 Sc\n0.636326 0.636326 0.512811 Sc\n0.307984 0.307984 0.136335 Sc\n0.826274 0.826274 0.964912 O\n0.173726 0.173726 0.035088 O\n0.789954 0.789954 0.621155 O\n0.125551 0.125551 0.720561 O\n0.500000 0.500000 0.000000 O\n0.210046 0.210046 0.378845 O\n0.534153 0.534153 0.340978 O\n0.874449 0.874449 0.279439 O\n0.465847 0.465847 0.659022 O\n","nsites":15,"nelements":2,"elements":["Sc","O"],"chemical_system":"O-Sc","density":4.033922602161278,"density_atomic":0.08807499639604074,"volume":170.3094023705722,"volume_molar":6.837514625513757,"formula_full":"Sc6 O9","formula_reduced":"Sc2O3","formula_anonymous":"A2B3","energy":-140.95121174,"energy_per_atom":-9.396747449333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-134.76821174,"band_gap":3.4639,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024879,"is_theoretical":true,"updated_at":"2021-11-28T01:37:46.252000Z","spacegroup":12},{"id":"mp-8046","created_at":"2022-09-04T14:45:17.563671Z","structure_string":"Ta4 N5\n1.0\n-3.449246 3.449246 2.147232\n3.449246 -3.449246 2.147232\n3.449246 3.449246 -2.147232\nTa N\n4 5\ndirect\n0.216211 0.394907 0.611117 Ta\n0.605093 0.216211 0.821304 Ta\n0.394907 0.783789 0.178696 Ta\n0.783789 0.605093 0.388883 Ta\n0.500000 0.500000 0.000000 N\n0.091587 0.692816 0.784403 N\n0.307184 0.091587 0.398771 N\n0.692816 0.908413 0.601229 N\n0.908413 0.307184 0.215597 N\n","nsites":9,"nelements":2,"elements":["Ta","N"],"chemical_system":"N-Ta","density":12.89990701103647,"density_atomic":0.08807551852472087,"volume":102.18503564613017,"volume_molar":6.837474091406817,"formula_full":"Ta4 N5","formula_reduced":"Ta4N5","formula_anonymous":"A4B5","energy":-100.71438434,"energy_per_atom":-11.190487148888888,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.90938434,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010422,"is_theoretical":false,"updated_at":"2021-11-28T01:36:57.359000Z","spacegroup":87},{"id":"mp-760823","created_at":"2022-09-04T14:46:21.034077Z","structure_string":"Li22 V8 F48\n1.0\n-4.971901 4.971901 8.956385\n4.971901 -4.971901 8.956385\n4.971901 4.971901 -8.956385\nLi V F\n22 8 48\ndirect\n0.250000 0.750000 0.500000 Li\n0.223891 0.223891 0.000000 Li\n0.482192 0.504991 0.492646 Li\n0.676793 0.419595 0.735258 Li\n0.776109 0.776109 0.000000 Li\n0.737656 0.260454 0.992646 Li\n0.691534 0.926793 0.757198 Li\n0.580405 0.315663 0.257198 Li\n0.684337 0.941534 0.264742 Li\n0.010454 0.517808 0.022798 Li\n0.495010 0.987656 0.977202 Li\n0.254990 0.262344 0.522798 Li\n0.739546 0.732192 0.477202 Li\n0.065663 0.308466 0.235258 Li\n0.169595 0.934337 0.242802 Li\n0.058466 0.323207 0.742802 Li\n0.012344 0.989546 0.507354 Li\n0.973891 0.473891 0.500000 Li\n0.073207 0.830405 0.764742 Li\n0.267808 0.745010 0.007354 Li\n0.526109 0.026109 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.875000 0.125000 0.750000 V\n0.375000 0.125000 0.250000 V\n0.875000 0.625000 0.250000 V\n0.375000 0.625000 0.250000 V\n0.375000 0.625000 0.750000 V\n0.875000 0.625000 0.750000 V\n0.375000 0.125000 0.750000 V\n0.875000 0.125000 0.250000 V\n0.381956 0.948019 0.740644 F\n0.358689 0.618044 0.566063 F\n0.230937 0.253941 0.216223 F\n0.507569 0.490023 0.744687 F\n0.037718 0.014714 0.783777 F\n0.540184 0.311727 0.452605 F\n0.559144 0.093089 0.754787 F\n0.843089 0.588302 0.033945 F\n0.051981 0.792625 0.433937 F\n0.411698 0.445643 0.254787 F\n0.746059 0.962282 0.976996 F\n0.384814 0.114676 0.072849 F\n0.512882 0.757569 0.517546 F\n0.688035 0.615186 0.729861 F\n0.864676 0.291827 0.229861 F\n0.985286 0.769063 0.023004 F\n0.554357 0.809144 0.966055 F\n0.061727 0.109122 0.271543 F\n0.542625 0.608689 0.240644 F\n0.041827 0.311965 0.927151 F\n0.745336 0.762882 0.255313 F\n0.859122 0.087579 0.547395 F\n0.912421 0.459816 0.771543 F\n0.509977 0.254664 0.017546 F\n0.240023 0.995336 0.482454 F\n0.837579 0.790184 0.728457 F\n0.890878 0.162421 0.952605 F\n0.004664 0.487118 0.244687 F\n0.708173 0.938035 0.572849 F\n0.207375 0.641311 0.259356 F\n0.688273 0.140878 0.228457 F\n0.195643 0.440856 0.533945 F\n0.764714 0.480937 0.476996 F\n0.885324 0.958173 0.270139 F\n0.061965 0.634814 0.770139 F\n0.237118 0.492431 0.982454 F\n0.365186 0.135324 0.427151 F\n0.003941 0.287718 0.523004 F\n0.338302 0.804357 0.245213 F\n0.698019 0.457375 0.066063 F\n0.906911 0.661698 0.466055 F\n0.190856 0.156911 0.745213 F\n0.209816 0.938273 0.047395 F\n0.712282 0.235286 0.716223 F\n0.242431 0.759977 0.755313 F\n0.519063 0.996059 0.283777 F\n0.391311 0.631956 0.933937 F\n0.368044 0.301981 0.759356 F\n","nsites":78,"nelements":3,"elements":["Li","V","F"],"chemical_system":"F-Li-V","density":2.7603594567576217,"density_atomic":0.08807586407982076,"volume":885.6001677066797,"volume_molar":6.837447265396451,"formula_full":"Li22 V8 F48","formula_reduced":"Li11V4F24","formula_anonymous":"A4B11C24","energy":-454.71979603,"energy_per_atom":-5.82974097474359,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-418.94379603,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.8500677,"is_theoretical":true,"updated_at":"2021-11-28T01:37:28.900000Z","spacegroup":88},{"id":"mp-1034771","created_at":"2022-09-04T14:47:38.396482Z","structure_string":"Cs1 Hf1 Mg14 O15\n1.0\n9.056834 0.000000 0.000000\n0.000000 8.977048 0.000000\n0.000000 0.000000 4.329072\nCs Hf Mg O\n1 1 14 15\ndirect\n0.064424 -0.000000 -0.000000 Cs\n0.509287 0.500000 -0.000000 Hf\n0.982873 0.500000 -0.000000 Mg\n0.500012 -0.000000 -0.000000 Mg\n0.985992 0.253851 0.500000 Mg\n0.985992 0.746149 0.500000 Mg\n0.507811 0.243540 0.500000 Mg\n0.507811 0.756460 0.500000 Mg\n0.290363 -0.000000 0.500000 Mg\n0.231407 0.500000 0.500000 Mg\n0.739663 -0.000000 0.500000 Mg\n0.757910 0.500000 0.500000 Mg\n0.251718 0.266504 0.000000 Mg\n0.251718 0.733496 -0.000000 Mg\n0.757627 0.235307 0.000000 Mg\n0.757627 0.764693 -0.000000 Mg\n0.263448 0.500000 -0.000000 O\n0.720724 -0.000000 -0.000000 O\n0.743209 0.500000 -0.000000 O\n0.247473 0.256604 0.500000 O\n0.247473 0.743396 0.500000 O\n0.743512 0.258062 0.500000 O\n0.743512 0.741938 0.500000 O\n0.950758 -0.000000 0.500000 O\n0.995025 0.500000 0.500000 O\n0.512835 -0.000000 0.500000 O\n0.505856 0.500000 0.500000 O\n0.988629 0.281979 0.000000 O\n0.988629 0.718021 -0.000000 O\n0.508342 0.266042 -0.000000 O\n0.508342 0.733958 -0.000000 O\n","nsites":31,"nelements":4,"elements":["Cs","Hf","Mg","O"],"chemical_system":"Cs-Hf-Mg-O","density":4.206703373989119,"density_atomic":0.08807586756800385,"volume":351.9692834823879,"volume_molar":6.837446994604138,"formula_full":"Cs1 Hf1 Mg14 O15","formula_reduced":"CsHfMg14O15","formula_anonymous":"ABC14D15","energy":-188.42912475,"energy_per_atom":-6.078358862903226,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-178.12412475,"band_gap":1.5973000000000006,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.4681053,"is_theoretical":true,"updated_at":"2021-11-28T01:38:19.537000Z","spacegroup":25},{"id":"mp-756499","created_at":"2022-09-04T14:48:05.135093Z","structure_string":"Li6 Mn2 P2 C2 O14\n1.0\n5.280658 0.000000 0.000000\n0.000000 6.710929 0.000000\n0.000000 0.000000 8.330014\nLi Mn P C O\n6 2 2 2 14\ndirect\n0.400199 0.274699 0.717003 Li\n0.400199 0.725301 0.717003 Li\n0.466548 0.000000 0.080056 Li\n0.900199 0.225301 0.282997 Li\n0.900199 0.774699 0.282997 Li\n0.966548 0.500000 0.919944 Li\n0.476738 0.500000 0.326014 Mn\n0.976738 0.000000 0.673986 Mn\n0.032631 0.500000 0.590984 P\n0.532631 0.000000 0.409016 P\n0.491333 0.500000 0.010123 C\n0.991333 0.000000 0.989877 C\n0.996776 0.000000 0.144101 O\n0.201644 0.000000 0.907738 O\n0.275262 0.500000 0.085123 O\n0.322951 0.500000 0.553322 O\n0.384405 0.000000 0.570682 O\n0.481090 0.816086 0.300050 O\n0.481090 0.183914 0.300050 O\n0.496776 0.500000 0.855899 O\n0.701644 0.500000 0.092262 O\n0.775262 0.000000 0.914877 O\n0.822951 0.000000 0.446678 O\n0.884405 0.500000 0.429318 O\n0.981090 0.683914 0.699950 O\n0.981090 0.316086 0.699950 O\n","nsites":26,"nelements":5,"elements":["Li","Mn","P","C","O"],"chemical_system":"C-Li-Mn-O-P","density":2.5959003951123147,"density_atomic":0.08807586783245912,"volume":295.2000433246718,"volume_molar":6.8374469740741235,"formula_full":"Li6 Mn2 P2 C2 O14","formula_reduced":"Li3MnPCO7","formula_anonymous":"ABCD3E7","energy":-190.31295551,"energy_per_atom":-7.3197290580769225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-177.35895551,"band_gap":3.7453,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.000838,"is_theoretical":true,"updated_at":"2021-11-28T01:38:30.903000Z","spacegroup":31},{"id":"mp-778661","created_at":"2022-09-04T14:46:52.623460Z","structure_string":"Li2 Cu10 P4 O16\n1.0\n6.205273 0.000000 0.000000\n0.000000 5.662166 0.000000\n0.000000 0.136100 10.340679\nLi Cu P O\n2 10 4 16\ndirect\n0.000000 0.141486 0.246362 Li\n0.500000 0.854130 0.495621 Li\n0.000000 0.250082 0.733507 Cu\n0.799955 0.350229 0.489008 Cu\n0.714000 0.358103 0.000062 Cu\n0.715027 0.637042 0.236505 Cu\n0.743359 0.650271 0.751526 Cu\n0.500000 0.740830 0.989065 Cu\n0.256641 0.650271 0.751526 Cu\n0.284973 0.637042 0.236505 Cu\n0.200045 0.350229 0.489008 Cu\n0.286000 0.358103 0.000062 Cu\n0.000000 0.856635 0.005793 P\n0.000000 0.824469 0.499735 P\n0.500000 0.164997 0.259276 P\n0.500000 0.159327 0.747953 P\n0.000000 0.840241 0.649508 O\n0.000000 0.076930 0.434782 O\n0.000000 0.835390 0.156297 O\n0.000000 0.115403 0.957595 O\n0.788855 0.698865 0.451541 O\n0.803026 0.715090 0.950143 O\n0.710756 0.288282 0.206057 O\n0.699135 0.305022 0.697834 O\n0.500000 0.143383 0.898079 O\n0.500000 0.911364 0.686146 O\n0.500000 0.171124 0.409515 O\n0.500000 0.908398 0.208005 O\n0.300865 0.305022 0.697834 O\n0.289244 0.288282 0.206057 O\n0.211145 0.698865 0.451541 O\n0.196974 0.715090 0.950143 O\n","nsites":32,"nelements":4,"elements":["Li","Cu","P","O"],"chemical_system":"Cu-Li-O-P","density":4.704006463572832,"density_atomic":0.08807596921181225,"volume":363.3227120446872,"volume_molar":6.837439103868919,"formula_full":"Li2 Cu10 P4 O16","formula_reduced":"LiCu5(PO4)2","formula_anonymous":"AB2C5D8","energy":-197.88233513,"energy_per_atom":-6.1838229728125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-186.89033513,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006057,"is_theoretical":true,"updated_at":"2021-11-28T01:37:38.089000Z","spacegroup":6},{"id":"mp-774243","created_at":"2022-09-04T14:45:30.528823Z","structure_string":"Li4 Cr4 Sn4 O16\n1.0\n6.097207 -0.000016 -0.000317\n-0.000015 6.096693 -0.000086\n-0.000445 -0.000123 8.552117\nLi Cr Sn O\n4 4 4 16\ndirect\n0.999989 0.232622 0.000008 Li\n0.999998 0.767437 0.500023 Li\n0.232603 0.000005 0.249974 Li\n0.767419 0.000008 0.750044 Li\n0.500006 0.243122 0.999979 Cr\n0.500107 0.756925 0.499933 Cr\n0.243084 0.500285 0.249899 Cr\n0.757151 0.499988 0.749923 Cr\n0.251734 0.251778 0.625046 Sn\n0.251808 0.748035 0.874959 Sn\n0.748190 0.251726 0.375016 Sn\n0.748191 0.748029 0.125058 Sn\n0.020247 0.261952 0.251009 O\n0.020241 0.738130 0.249052 O\n0.261871 0.020210 0.998940 O\n0.261882 0.979689 0.500982 O\n0.738094 0.020245 0.001100 O\n0.738188 0.979684 0.499069 O\n0.979691 0.261931 0.749003 O\n0.979680 0.738142 0.750984 O\n0.262552 0.481568 0.013773 O\n0.262608 0.518398 0.486316 O\n0.481609 0.262699 0.236289 O\n0.481591 0.737403 0.263726 O\n0.518343 0.262636 0.763754 O\n0.518339 0.737345 0.736232 O\n0.737422 0.518401 0.513691 O\n0.737361 0.481606 0.986219 O\n","nsites":28,"nelements":4,"elements":["Li","Cr","Sn","O"],"chemical_system":"Cr-Li-O-Sn","density":5.04879182943345,"density_atomic":0.08807631432721395,"volume":317.90612736105965,"volume_molar":6.8374123122671016,"formula_full":"Li4 Cr4 Sn4 O16","formula_reduced":"LiCrSnO4","formula_anonymous":"ABCD4","energy":-202.83020479,"energy_per_atom":-7.243935885357144,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-183.84220479,"band_gap":1.3642000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0099085,"is_theoretical":true,"updated_at":"2021-11-28T01:37:01.501000Z","spacegroup":95},{"id":"mp-1205447","created_at":"2022-09-04T14:39:07.590242Z","structure_string":"Mo8 N8\n1.0\n4.661058 3.885267 0.000000\n-4.661058 3.885267 0.000000\n0.000000 0.976421 5.015550\nMo N\n8 8\ndirect\n0.875052 0.875052 0.767900 Mo\n0.124948 0.124948 0.232100 Mo\n0.398504 0.025301 0.727326 Mo\n0.025301 0.398504 0.727326 Mo\n0.516500 0.516500 0.740291 Mo\n0.601496 0.974699 0.272674 Mo\n0.974699 0.601496 0.272674 Mo\n0.483500 0.483500 0.259709 Mo\n0.314400 0.685600 0.500000 N\n0.685600 0.314400 0.500000 N\n0.200150 0.457795 0.049989 N\n0.542205 0.799850 0.950011 N\n0.131140 0.868860 0.000000 N\n0.457795 0.200150 0.049989 N\n0.868860 0.131140 0.000000 N\n0.799850 0.542205 0.950011 N\n","nsites":16,"nelements":2,"elements":["Mo","N"],"chemical_system":"Mo-N","density":8.04020916087256,"density_atomic":0.08807771642686632,"volume":181.6577523701503,"volume_molar":6.837303468239179,"formula_full":"Mo8 N8","formula_reduced":"MoN","formula_anonymous":"AB","energy":-155.55013562,"energy_per_atom":-9.72188347625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-152.66213562,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.4e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:34:28.442000Z","spacegroup":12},{"id":"mp-550220","created_at":"2022-09-04T14:45:15.591179Z","structure_string":"Co4 Ge4 O12\n1.0\n5.138052 0.023762 0.748378\n0.910681 6.612008 0.495009\n0.007557 0.012749 6.689959\nCo Ge O\n4 4 12\ndirect\n0.249272 0.098527 0.899807 Co\n0.751003 0.262310 0.737225 Co\n0.751244 0.909493 0.095065 Co\n0.250344 0.732949 0.267418 Co\n0.715673 0.792368 0.604524 Ge\n0.215074 0.606612 0.794695 Ge\n0.782857 0.395667 0.207237 Ge\n0.285552 0.205689 0.393315 Ge\n0.407938 0.708266 0.570487 O\n0.090980 0.429302 0.291316 O\n0.887171 0.861667 0.369793 O\n0.635713 0.972801 0.793442 O\n0.133029 0.796285 0.974119 O\n0.590964 0.291090 0.430098 O\n0.909585 0.569594 0.708684 O\n0.611134 0.629972 0.138253 O\n0.386048 0.371940 0.864410 O\n0.367707 0.025375 0.204442 O\n0.863614 0.204684 0.027994 O\n0.115096 0.135411 0.627677 O\n","nsites":20,"nelements":3,"elements":["Co","Ge","O"],"chemical_system":"Co-Ge-O","density":5.252721510351957,"density_atomic":0.0880781382785127,"volume":227.07110289681435,"volume_molar":6.837270720865299,"formula_full":"Co4 Ge4 O12","formula_reduced":"CoGeO3","formula_anonymous":"ABC3","energy":-142.14661727,"energy_per_atom":-7.1073308635000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-127.35061727,"band_gap":1.5622999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9999893,"is_theoretical":true,"updated_at":"2021-11-28T01:36:55.886000Z","spacegroup":5}]}