{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=79","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=77","results":[{"id":"mp-695941","created_at":"2022-09-04T14:47:57.419903Z","structure_string":"Ag12 H52 Se4 N16 O20\n1.0\n6.538219 0.000000 0.000000\n0.000000 11.898146 0.000000\n0.000000 0.000000 14.746101\nAg H Se N O\n12 52 4 16 20\ndirect\n0.719557 0.553046 0.612863 Ag\n0.219557 0.946954 0.387137 Ag\n0.280443 0.053046 0.887137 Ag\n0.780443 0.446954 0.112863 Ag\n0.937759 0.751214 0.498803 Ag\n0.437759 0.748786 0.501197 Ag\n0.062241 0.251214 0.001197 Ag\n0.562241 0.248786 0.998803 Ag\n0.227466 0.542690 0.600005 Ag\n0.727466 0.957310 0.399995 Ag\n0.772534 0.042690 0.899995 Ag\n0.272534 0.457310 0.100005 Ag\n0.716483 0.716660 0.874104 H\n0.216483 0.783340 0.125896 H\n0.283517 0.216660 0.625896 H\n0.783517 0.283340 0.374104 H\n0.805871 0.609743 0.918654 H\n0.305871 0.890257 0.081346 H\n0.194129 0.109743 0.581346 H\n0.694129 0.390257 0.418654 H\n0.090833 0.921609 0.643878 H\n0.590833 0.578391 0.356122 H\n0.909167 0.421609 0.856122 H\n0.409167 0.078391 0.143878 H\n0.323346 0.951285 0.627897 H\n0.823346 0.548715 0.372103 H\n0.676654 0.451285 0.872103 H\n0.176654 0.048715 0.127897 H\n0.341015 0.664158 0.743735 H\n0.841015 0.835842 0.256265 H\n0.658985 0.164158 0.756265 H\n0.158985 0.335842 0.243735 H\n0.168908 0.569945 0.776004 H\n0.668908 0.930055 0.223996 H\n0.831092 0.069945 0.723996 H\n0.331092 0.430055 0.276004 H\n0.092784 0.690580 0.727571 H\n0.592784 0.809420 0.272429 H\n0.907216 0.190580 0.772429 H\n0.407216 0.309420 0.227571 H\n0.213666 0.345467 0.505944 H\n0.713666 0.154533 0.494056 H\n0.786334 0.845467 0.994056 H\n0.286334 0.654533 0.005944 H\n0.387749 0.427848 0.459412 H\n0.887749 0.072152 0.540588 H\n0.612251 0.927848 0.040588 H\n0.112251 0.572152 0.959412 H\n0.146435 0.452555 0.437258 H\n0.646435 0.047445 0.562742 H\n0.853565 0.952555 0.062742 H\n0.353565 0.547445 0.937258 H\n0.890204 0.367072 0.677500 H\n0.390204 0.132928 0.322500 H\n0.109796 0.867072 0.822500 H\n0.609796 0.632928 0.177500 H\n0.806242 0.340624 0.572551 H\n0.306242 0.159376 0.427449 H\n0.193758 0.840624 0.927449 H\n0.693758 0.659376 0.072551 H\n0.643124 0.338783 0.659245 H\n0.143124 0.161217 0.340755 H\n0.356876 0.838783 0.840755 H\n0.856876 0.661217 0.159245 H\n0.692328 0.817222 0.687322 Se\n0.192328 0.682778 0.312678 Se\n0.307672 0.317222 0.812678 Se\n0.807672 0.182778 0.187322 Se\n0.689094 0.727523 0.590140 N\n0.189094 0.772477 0.409860 N\n0.310906 0.227523 0.909860 N\n0.810906 0.272477 0.090140 N\n0.201935 0.628324 0.727304 N\n0.701935 0.871676 0.272696 N\n0.798065 0.128324 0.772696 N\n0.298065 0.371676 0.227304 N\n0.244803 0.427000 0.487627 N\n0.744803 0.073000 0.512373 N\n0.755197 0.927000 0.012373 N\n0.255197 0.573000 0.987627 N\n0.771088 0.378414 0.632748 N\n0.271088 0.121586 0.367252 N\n0.228912 0.878414 0.867252 N\n0.728912 0.621586 0.132748 N\n0.573720 0.755425 0.775807 O\n0.073720 0.744575 0.224193 O\n0.426280 0.255425 0.724193 O\n0.926280 0.244575 0.275807 O\n0.937679 0.841026 0.718500 O\n0.437679 0.658974 0.281500 O\n0.062321 0.341026 0.781500 O\n0.562321 0.158974 0.218500 O\n0.580852 0.941766 0.666115 O\n0.080852 0.558234 0.333885 O\n0.419148 0.441766 0.833885 O\n0.919148 0.058234 0.166115 O\n0.783295 0.690897 0.930702 O\n0.283295 0.809103 0.069298 O\n0.216705 0.190897 0.569298 O\n0.716705 0.309103 0.430702 O\n0.183277 0.965864 0.604116 O\n0.683277 0.534136 0.395884 O\n0.816723 0.465864 0.895884 O\n0.316723 0.034136 0.104116 O\n","nsites":104,"nelements":5,"elements":["Ag","H","Se","N","O"],"chemical_system":"Ag-H-N-O-Se","density":3.1944016001610094,"density_atomic":0.09066034721652222,"volume":1147.138778893257,"volume_molar":6.642529997836261,"formula_full":"Ag12 H52 Se4 N16 O20","formula_reduced":"Ag3H13SeN4O5","formula_anonymous":"AB3C4D5E13","energy":-523.54522672,"energy_per_atom":-5.034088718461538,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-504.02922672,"band_gap":1.9349,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0042397,"is_theoretical":false,"updated_at":"2021-11-28T01:38:13.640000Z","spacegroup":19},{"id":"mp-755682","created_at":"2022-09-04T14:47:57.391549Z","structure_string":"Li8 Fe2 O6 F2\n1.0\n5.172149 0.000000 0.000000\n1.795184 4.901127 0.000000\n0.997929 2.396535 7.643609\nLi Fe O F\n8 2 6 2\ndirect\n0.215183 0.829372 0.270247 Li\n0.756308 0.960008 0.054031 Li\n0.754849 0.501328 0.921169 Li\n0.767588 0.737882 0.494529 Li\n0.232412 0.262118 0.505471 Li\n0.245151 0.498672 0.078831 Li\n0.243692 0.039992 0.945969 Li\n0.784817 0.170628 0.729753 Li\n0.218064 0.597055 0.739846 Fe\n0.781936 0.402945 0.260154 Fe\n0.990297 0.431242 0.683111 O\n0.492252 0.307900 0.885953 O\n0.017153 0.818537 0.879324 O\n0.982847 0.181463 0.120676 O\n0.507748 0.692100 0.114047 O\n0.009703 0.568758 0.316889 O\n0.342668 0.832403 0.508787 F\n0.657332 0.167597 0.491213 F\n","nsites":18,"nelements":4,"elements":["Li","Fe","O","F"],"chemical_system":"F-Fe-Li-O","density":2.5813968513369736,"density_atomic":0.09289814843615216,"volume":193.76058945212665,"volume_molar":6.482519685673766,"formula_full":"Li8 Fe2 O6 F2","formula_reduced":"Li4FeO3F","formula_anonymous":"ABC3D4","energy":-104.67515733,"energy_per_atom":-5.815286518333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.11715733,"band_gap":2.4281,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9940935,"is_theoretical":true,"updated_at":"2021-11-28T01:38:22.507000Z","spacegroup":2},{"id":"mp-865117","created_at":"2022-09-04T14:47:57.392503Z","structure_string":"Na1 Er1 Tl2\n1.0\n0.000000 3.775794 3.775794\n3.775794 0.000000 3.775794\n3.775794 3.775794 0.000000\nNa Er Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Er\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n","nsites":4,"nelements":3,"elements":["Na","Er","Tl"],"chemical_system":"Er-Na-Tl","density":9.23915368469803,"density_atomic":0.03715396089327667,"volume":107.66012300787652,"volume_molar":16.208610374808675,"formula_full":"Na1 Er1 Tl2","formula_reduced":"NaErTl2","formula_anonymous":"ABC2","energy":-11.49070828,"energy_per_atom":-2.87267707,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.49070828,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.49e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:18.565000Z","spacegroup":225},{"id":"mp-1174032","created_at":"2022-09-04T14:47:57.399955Z","structure_string":"Li5 Mn1 Co2 O8\n1.0\n2.939370 0.000000 0.000000\n0.000000 5.044631 0.000000\n0.000000 2.020298 9.560380\nLi Mn Co O\n5 1 2 8\ndirect\n0.000000 0.732167 0.751305 Li\n0.500000 0.002747 0.499375 Li\n0.000000 0.255023 0.252719 Li\n0.500000 0.495753 0.993554 Li\n0.500000 0.262352 0.753367 Li\n0.000000 0.011586 0.991930 Mn\n0.000000 0.493585 0.511662 Co\n0.500000 0.735539 0.251855 Co\n0.000000 0.169452 0.609099 O\n0.500000 0.387941 0.374516 O\n0.000000 0.648080 0.127792 O\n0.500000 0.889859 0.889309 O\n0.000000 0.353327 0.883787 O\n0.500000 0.625743 0.615490 O\n0.000000 0.836605 0.378105 O\n0.500000 0.100240 0.116136 O\n","nsites":16,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":3.929966111350977,"density_atomic":0.11286548867029114,"volume":141.76166858888175,"volume_molar":5.335679516341978,"formula_full":"Li5 Mn1 Co2 O8","formula_reduced":"Li5Mn(CoO4)2","formula_anonymous":"AB2C5D8","energy":-101.98316536,"energy_per_atom":-6.373947835,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.54316536,"band_gap":0.2892000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9999177,"is_theoretical":true,"updated_at":"2021-11-28T01:38:20.383000Z","spacegroup":6},{"id":"mp-1208337","created_at":"2022-09-04T14:47:57.401045Z","structure_string":"Tc4 Ag4 O8\n1.0\n-3.023049 3.023049 5.965582\n3.023049 -3.023049 5.965582\n3.023049 3.023049 -5.965582\nTc Ag O\n4 4 8\ndirect\n0.375000 0.125000 0.250000 Tc\n0.875000 0.125000 0.750000 Tc\n0.875000 0.125000 0.250000 Tc\n0.875000 0.625000 0.750000 Tc\n0.875000 0.625000 0.250000 Ag\n0.375000 0.625000 0.750000 Ag\n0.375000 0.625000 0.250000 Ag\n0.375000 0.125000 0.750000 Ag\n0.177894 0.376364 0.198470 O\n0.177894 0.979423 0.801530 O\n0.126364 0.427894 0.698470 O\n0.572106 0.873636 0.301530 O\n0.729423 0.427894 0.301530 O\n0.572106 0.270577 0.698470 O\n0.623636 0.822106 0.801530 O\n0.020577 0.822106 0.198470 O\n","nsites":16,"nelements":3,"elements":["Tc","Ag","O"],"chemical_system":"Ag-O-Tc","density":7.245028526040164,"density_atomic":0.07336970930664109,"volume":218.07364580292474,"volume_molar":8.207938694197475,"formula_full":"Tc4 Ag4 O8","formula_reduced":"TcAgO2","formula_anonymous":"ABC2","energy":-102.35041071,"energy_per_atom":-6.396900669375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.85441071,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.8991667,"is_theoretical":true,"updated_at":"2021-11-28T01:38:23.143000Z","spacegroup":141},{"id":"mp-1220505","created_at":"2022-09-04T14:47:57.402735Z","structure_string":"Nb1 Zn1 Pb2 O6\n1.0\n5.111439 -2.884426 0.000000\n5.111439 2.884426 0.000000\n3.483735 0.000000 4.723380\nNb Zn Pb O\n1 1 2 6\ndirect\n0.489782 0.489782 0.489782 Nb\n0.987541 0.987541 0.987541 Zn\n0.756446 0.756446 0.756446 Pb\n0.260372 0.260372 0.260372 Pb\n0.722776 0.722776 0.215046 O\n0.233866 0.233866 0.698530 O\n0.722776 0.215046 0.722776 O\n0.233866 0.698530 0.233866 O\n0.215046 0.722776 0.722776 O\n0.698530 0.233866 0.233866 O\n","nsites":10,"nelements":4,"elements":["Nb","Zn","Pb","O"],"chemical_system":"Nb-O-Pb-Zn","density":7.97264828168098,"density_atomic":0.07179836161828501,"volume":139.27894417932347,"volume_molar":8.387574067520687,"formula_full":"Nb1 Zn1 Pb2 O6","formula_reduced":"NbZn(PbO3)2","formula_anonymous":"ABC2D6","energy":-67.96345516,"energy_per_atom":-6.796345516,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.84145516,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0000711,"is_theoretical":true,"updated_at":"2021-11-28T01:38:22.993000Z","spacegroup":160},{"id":"mp-756972","created_at":"2022-09-04T14:47:57.409505Z","structure_string":"Li12 Ti8 Cr4 O24\n1.0\n-3.549106 -5.653322 -0.007488\n6.099972 -2.803939 -0.006602\n-2.570662 2.327734 10.059473\nLi Ti Cr O\n12 8 4 24\ndirect\n0.708608 0.209869 0.876266 Li\n0.457308 0.956615 0.623465 Li\n0.208172 0.706242 0.374106 Li\n0.958277 0.459842 0.126070 Li\n0.369915 0.882340 0.876263 Li\n0.118417 0.632872 0.624388 Li\n0.869223 0.384076 0.375490 Li\n0.619361 0.134522 0.126603 Li\n0.047841 0.534154 0.874879 Li\n0.797426 0.284371 0.623774 Li\n0.546920 0.032665 0.373535 Li\n0.297651 0.782126 0.124978 Li\n0.746341 0.748450 0.754132 Ti\n0.490536 0.490051 0.500730 Ti\n0.236063 0.236833 0.251634 Ti\n0.993053 0.996185 0.005655 Ti\n0.676924 0.677716 0.998869 Ti\n0.421322 0.418926 0.745065 Ti\n0.171559 0.169292 0.493904 Ti\n0.931057 0.929669 0.249543 Ti\n0.084128 0.084414 0.750725 Cr\n0.831437 0.831101 0.499529 Cr\n0.584175 0.584244 0.250542 Cr\n0.333814 0.333426 0.999916 Cr\n0.051444 0.826022 0.814317 O\n0.799287 0.574594 0.564657 O\n0.550749 0.326890 0.315373 O\n0.301489 0.077099 0.063832 O\n0.368156 0.589818 0.934299 O\n0.116138 0.341960 0.686253 O\n0.863292 0.088900 0.436174 O\n0.616626 0.840305 0.184610 O\n0.724450 0.483147 0.813670 O\n0.477857 0.229740 0.564461 O\n0.235020 0.975665 0.315637 O\n0.977892 0.731032 0.063638 O\n0.687348 0.937605 0.935172 O\n0.443258 0.683953 0.685576 O\n0.188807 0.436630 0.437110 O\n0.931939 0.188759 0.184181 O\n0.385107 0.160460 0.813291 O\n0.132141 0.909729 0.564982 O\n0.886056 0.661071 0.314463 O\n0.633530 0.413593 0.064381 O\n0.032364 0.256821 0.936461 O\n0.783547 0.007384 0.686008 O\n0.531097 0.754448 0.436090 O\n0.282872 0.504383 0.185304 O\n","nsites":48,"nelements":4,"elements":["Li","Ti","Cr","O"],"chemical_system":"Cr-Li-O-Ti","density":3.9327583716779757,"density_atomic":0.10742923119112782,"volume":446.8057666223357,"volume_molar":5.605681706207116,"formula_full":"Li12 Ti8 Cr4 O24","formula_reduced":"Li3Ti2CrO6","formula_anonymous":"AB2C3D6","energy":-375.99259676,"energy_per_atom":-7.833179099166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-351.50859676,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0292313,"is_theoretical":true,"updated_at":"2021-11-28T01:38:18.462000Z","spacegroup":12},{"id":"mp-1206265","created_at":"2022-09-04T14:47:57.417007Z","structure_string":"La2 Si2 I2\n1.0\n2.108059 -3.651265 0.000000\n2.108059 3.651265 0.000000\n0.000000 0.000000 12.164758\nLa Si I\n2 2 2\ndirect\n0.000000 0.000000 0.170497 La\n0.000000 0.000000 0.829503 La\n0.333333 0.666667 0.006673 Si\n0.666667 0.333333 0.993327 Si\n0.333333 0.666667 0.649325 I\n0.666667 0.333333 0.350675 I\n","nsites":6,"nelements":3,"elements":["La","Si","I"],"chemical_system":"I-La-Si","density":5.212095393143225,"density_atomic":0.03203993786657907,"volume":187.26628075825994,"volume_molar":18.79573170546535,"formula_full":"La2 Si2 I2","formula_reduced":"LaSiI","formula_anonymous":"ABC","energy":-31.23923928,"energy_per_atom":-5.20653988,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.62323928,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004274,"is_theoretical":true,"updated_at":"2021-11-28T01:38:15.783000Z","spacegroup":164},{"id":"mp-1222297","created_at":"2022-09-04T14:47:57.421427Z","structure_string":"Li1 Tb1 S2\n1.0\n6.294873 -1.964869 0.000000\n6.294873 1.964869 0.000000\n5.681562 0.000000 3.347534\nLi Tb S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Tb\n0.250432 0.250432 0.250432 S\n0.749568 0.749568 0.749568 S\n","nsites":4,"nelements":3,"elements":["Li","Tb","S"],"chemical_system":"Li-S-Tb","density":4.61205497760403,"density_atomic":0.04830414791815326,"volume":82.80862353224025,"volume_molar":12.46712967632498,"formula_full":"Li1 Tb1 S2","formula_reduced":"LiTbS2","formula_anonymous":"ABC2","energy":-23.18087459,"energy_per_atom":-5.7952186475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.17487459,"band_gap":2.055400000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.13e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:16.935000Z","spacegroup":166},{"id":"mp-755258","created_at":"2022-09-04T14:47:57.426130Z","structure_string":"Tm4 V4 O12\n1.0\n5.262829 0.000000 0.000000\n0.000000 5.688012 0.000000\n0.000000 0.000000 7.622399\nTm V O\n4 4 12\ndirect\n0.022260 0.929273 0.250000 Tm\n0.477740 0.429273 0.250000 Tm\n0.522260 0.570727 0.750000 Tm\n0.977740 0.070727 0.750000 Tm\n0.000000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.125238 0.448338 0.750000 O\n0.191724 0.187128 0.436931 O\n0.191724 0.187128 0.063069 O\n0.308276 0.687128 0.436931 O\n0.308276 0.687128 0.063069 O\n0.374762 0.948338 0.750000 O\n0.625238 0.051662 0.250000 O\n0.691724 0.312872 0.936931 O\n0.691724 0.312872 0.563069 O\n0.808276 0.812872 0.936931 O\n0.808276 0.812872 0.563069 O\n0.874762 0.551662 0.250000 O\n","nsites":20,"nelements":3,"elements":["Tm","V","O"],"chemical_system":"O-Tm-V","density":7.797727677008739,"density_atomic":0.08765133882452844,"volume":228.1767770831035,"volume_molar":6.870563348787957,"formula_full":"Tm4 V4 O12","formula_reduced":"TmVO3","formula_anonymous":"ABC3","energy":-180.04159202000005,"energy_per_atom":-9.002079601000002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-164.99759202,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.999952,"is_theoretical":false,"updated_at":"2021-11-28T01:38:21.002000Z","spacegroup":62},{"id":"mp-21271","created_at":"2022-09-04T14:47:58.686002Z","structure_string":"Pr2 Mn2 Ge2\n1.0\n4.283943 0.000000 0.000000\n0.000000 4.283943 0.000000\n0.000000 0.000000 7.166429\nPr Mn Ge\n2 2 2\ndirect\n0.000000 0.500000 0.329395 Pr\n0.500000 0.000000 0.670605 Pr\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.207640 Ge\n0.000000 0.500000 0.792360 Ge\n","nsites":6,"nelements":3,"elements":["Pr","Mn","Ge"],"chemical_system":"Ge-Mn-Pr","density":6.779693718811852,"density_atomic":0.0456206092080424,"volume":131.51950629677842,"volume_molar":13.200482993415099,"formula_full":"Pr2 Mn2 Ge2","formula_reduced":"PrMnGe","formula_anonymous":"ABC","energy":-39.70525425,"energy_per_atom":-6.617542375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.70525425,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.8979409,"is_theoretical":false,"updated_at":"2021-11-28T01:38:26.349000Z","spacegroup":129},{"id":"mp-1224511","created_at":"2022-09-04T14:47:46.675112Z","structure_string":"K1 Mo8 O12\n1.0\n3.308876 0.000000 0.000000\n0.000000 10.248528 0.000000\n0.000000 0.048327 10.260004\nK Mo O\n1 8 12\ndirect\n0.098973 0.500000 0.500000 K\n0.504143 0.336218 0.866239 Mo\n0.504143 0.663782 0.133761 Mo\n0.503036 0.159233 0.361245 Mo\n0.503036 0.840767 0.638755 Mo\n0.001165 0.116575 0.627225 Mo\n0.001165 0.883425 0.372775 Mo\n0.000147 0.393722 0.135314 Mo\n0.000147 0.606278 0.864686 Mo\n0.501294 0.015602 0.711521 O\n0.501294 0.984398 0.288479 O\n0.500293 0.493332 0.228695 O\n0.500293 0.506668 0.771305 O\n0.500289 0.707423 0.947724 O\n0.500289 0.292577 0.052276 O\n0.501211 0.773993 0.456325 O\n0.501211 0.226007 0.543675 O\n0.002442 0.737070 0.699983 O\n0.002442 0.262930 0.300017 O\n0.002393 0.749895 0.213330 O\n0.002393 0.250105 0.786670 O\n","nsites":21,"nelements":3,"elements":["K","Mo","O"],"chemical_system":"K-Mo-O","density":4.766021226171325,"density_atomic":0.060357296717458285,"volume":347.92810715669066,"volume_molar":9.977485884085498,"formula_full":"K1 Mo8 O12","formula_reduced":"K(Mo2O3)4","formula_anonymous":"AB8C12","energy":-178.97430345,"energy_per_atom":-8.522585878571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-145.11430345,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.0002473,"is_theoretical":true,"updated_at":"2021-11-28T01:38:24.234000Z","spacegroup":3}]}