{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=43","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=41","results":[{"id":"mp-1021317","created_at":"2022-09-04T14:48:31.295857Z","structure_string":"Sr2 Li2 Mg12\n1.0\n5.322578 0.000000 0.000000\n0.000000 6.601897 0.000000\n0.000000 0.000000 11.955821\nSr Li Mg\n2 2 12\ndirect\n0.500000 0.500000 0.170769 Sr\n0.500000 0.000000 0.670769 Sr\n0.500000 0.000000 0.163488 Li\n0.500000 0.500000 0.663488 Li\n0.500000 0.256092 0.421600 Mg\n0.500000 0.743908 0.421600 Mg\n0.000000 0.764201 0.076299 Mg\n0.000000 0.235799 0.076299 Mg\n0.000000 0.000000 0.328207 Mg\n0.000000 0.500000 0.341733 Mg\n0.500000 0.756092 0.921600 Mg\n0.500000 0.243908 0.921600 Mg\n0.000000 0.264201 0.576299 Mg\n0.000000 0.735799 0.576299 Mg\n0.000000 0.500000 0.828207 Mg\n0.000000 0.000000 0.841733 Mg\n","nsites":16,"nelements":3,"elements":["Sr","Li","Mg"],"chemical_system":"Li-Mg-Sr","density":1.9003216404919445,"density_atomic":0.038084635156129504,"volume":420.11692994845174,"volume_molar":15.812520548803974,"formula_full":"Sr2 Li2 Mg12","formula_reduced":"SrLiMg6","formula_anonymous":"ABC6","energy":-25.44986928,"energy_per_atom":-1.59061683,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.44986928,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0104777,"is_theoretical":true,"updated_at":"2021-11-28T01:39:56.822000Z","spacegroup":38},{"id":"mp-1104033","created_at":"2022-09-04T14:48:30.428949Z","structure_string":"Nb6 Cr7\n1.0\n-4.754129 0.000000 1.254719\n-2.542638 4.208449 0.000000\n-4.764071 -0.006007 -8.417004\nNb Cr\n6 7\ndirect\n0.832617 0.832617 0.502148 Nb\n0.167383 0.167383 0.497852 Nb\n0.649396 0.649396 0.051813 Nb\n0.350604 0.350604 0.948187 Nb\n0.547427 0.547427 0.357719 Nb\n0.452573 0.452573 0.642281 Nb\n0.000000 0.000000 0.000000 Cr\n0.905108 0.409926 0.779858 Cr\n0.409926 0.905108 0.779858 Cr\n0.905108 0.905108 0.779858 Cr\n0.094892 0.590074 0.220142 Cr\n0.590074 0.094892 0.220142 Cr\n0.094892 0.094892 0.220142 Cr\n","nsites":13,"nelements":2,"elements":["Nb","Cr"],"chemical_system":"Cr-Nb","density":7.903961147064081,"density_atomic":0.06715613111896289,"volume":193.57875123823484,"volume_molar":8.967372985397496,"formula_full":"Nb6 Cr7","formula_reduced":"Nb6Cr7","formula_anonymous":"A6B7","energy":-128.00980522,"energy_per_atom":-9.846908093846155,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-128.00980522,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0223555,"is_theoretical":true,"updated_at":"2021-11-28T01:39:56.790000Z","spacegroup":166},{"id":"mp-2793","created_at":"2022-09-04T14:48:30.501192Z","structure_string":"Au2 Se2\n1.0\n1.874122 4.750729 0.000000\n-1.874122 4.750729 0.000000\n0.000000 1.556253 6.257948\nAu Se\n2 2\ndirect\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.136808 0.136808 0.276014 Se\n0.863192 0.863192 0.723986 Se\n","nsites":4,"nelements":2,"elements":["Au","Se"],"chemical_system":"Au-Se","density":8.223421519004054,"density_atomic":0.035895493582112706,"volume":111.43460086012757,"volume_molar":16.776871297852633,"formula_full":"Au2 Se2","formula_reduced":"AuSe","formula_anonymous":"AB","energy":-14.88705449,"energy_per_atom":-3.7217636225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.94305449,"band_gap":0.2627999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:39:56.783000Z","spacegroup":12},{"id":"mp-1013527","created_at":"2022-09-04T14:48:14.718480Z","structure_string":"Be2 Ge2 P4\n1.0\n-2.613237 2.613237 5.213174\n2.613237 -2.613237 5.213174\n2.613237 2.613237 -5.213174\nBe Ge P\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.000000 0.000000 0.000000 Ge\n0.750000 0.250000 0.500000 Ge\n0.596876 0.625000 0.471876 P\n0.153124 0.125000 0.528124 P\n0.875000 0.403124 0.028124 P\n0.375000 0.846876 0.971876 P\n","nsites":8,"nelements":3,"elements":["Be","Ge","P"],"chemical_system":"Be-Ge-P","density":3.348982165256698,"density_atomic":0.056178505014139964,"volume":142.40321984336222,"volume_molar":10.719652932174405,"formula_full":"Be2 Ge2 P4","formula_reduced":"BeGeP2","formula_anonymous":"ABC2","energy":-40.52776163,"energy_per_atom":-5.06597020375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.52776163,"band_gap":0.9023000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.27e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:56.728000Z","spacegroup":122},{"id":"mp-759536","created_at":"2022-09-04T14:48:30.503877Z","structure_string":"V8 O6 F18\n1.0\n5.207207 0.000000 0.000000\n-2.586957 -4.752377 0.000000\n-2.505297 1.136401 -17.177025\nV O F\n8 6 18\ndirect\n0.749674 0.374521 0.125202 V\n0.746020 0.895694 0.630394 V\n0.522746 0.732039 0.249646 V\n0.513056 0.253511 0.750630 V\n0.214968 0.096772 0.373031 V\n0.215124 0.612067 0.873173 V\n0.977772 0.015690 0.001551 V\n0.972076 0.472241 0.505065 V\n0.799623 0.199152 0.559963 O\n0.841392 0.200896 0.039922 O\n0.853274 0.919282 0.335376 O\n0.854333 0.424859 0.834546 O\n0.658318 0.547507 0.209632 O\n0.673380 0.044186 0.703808 O\n0.324973 0.152411 0.085629 F\n0.771918 0.679267 0.059424 F\n0.724109 0.066730 0.189350 F\n0.344345 0.956629 0.291082 F\n0.327722 0.667479 0.585022 F\n0.341354 0.473362 0.788532 F\n0.172710 0.596260 0.164940 F\n0.173769 0.086901 0.662823 F\n0.180694 0.294508 0.461307 F\n0.283485 0.437189 0.314806 F\n0.727471 0.569579 0.684919 F\n0.823298 0.715407 0.539686 F\n0.169210 0.794915 0.962112 F\n0.660719 0.328351 0.413377 F\n0.282034 0.945536 0.815197 F\n0.226075 0.312974 0.937283 F\n0.211761 0.802368 0.440570 F\n0.662594 0.831715 0.912003 F\n","nsites":32,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":3.3029261092281152,"density_atomic":0.07528116006759085,"volume":425.07315205117646,"volume_molar":7.999532359215836,"formula_full":"V8 O6 F18","formula_reduced":"V4(OF3)3","formula_anonymous":"A3B4C9","energy":-231.34111193,"energy_per_atom":-7.2294097478125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-205.30311193,"band_gap":1.0805,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9998593,"is_theoretical":true,"updated_at":"2021-11-28T01:39:56.723000Z","spacegroup":1},{"id":"mp-777361","created_at":"2022-09-04T14:48:30.393955Z","structure_string":"Li4 Mn8 F20\n1.0\n6.742279 0.000000 0.000000\n0.000000 8.121748 0.000000\n0.000000 0.000000 8.691127\nLi Mn F\n4 8 20\ndirect\n0.750000 0.166029 0.317129 Li\n0.750000 0.333971 0.817129 Li\n0.250000 0.666029 0.182871 Li\n0.250000 0.833971 0.682871 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.250000 0.102127 0.330151 Mn\n0.250000 0.397873 0.830151 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.750000 0.602127 0.169849 Mn\n0.750000 0.897873 0.669849 Mn\n0.750000 0.044144 0.490986 F\n0.511479 0.135808 0.206664 F\n0.988521 0.135808 0.206664 F\n0.750000 0.106794 0.878517 F\n0.250000 0.154070 0.922850 F\n0.250000 0.345930 0.422850 F\n0.750000 0.393206 0.378517 F\n0.511479 0.364192 0.706664 F\n0.988521 0.364192 0.706664 F\n0.750000 0.455856 0.990986 F\n0.250000 0.544144 0.009014 F\n0.011479 0.635808 0.293336 F\n0.488521 0.635808 0.293336 F\n0.250000 0.606794 0.621483 F\n0.750000 0.654070 0.577150 F\n0.750000 0.845930 0.077150 F\n0.250000 0.893206 0.121483 F\n0.011479 0.864192 0.793336 F\n0.488521 0.864192 0.793336 F\n0.250000 0.955856 0.509014 F\n","nsites":32,"nelements":3,"elements":["Li","Mn","F"],"chemical_system":"F-Li-Mn","density":2.956115439350104,"density_atomic":0.06723844360016368,"volume":475.91821414382207,"volume_molar":8.956395236943498,"formula_full":"Li4 Mn8 F20","formula_reduced":"LiMn2F5","formula_anonymous":"AB2C5","energy":-213.52571629,"energy_per_atom":-6.6726786340625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-190.94171629,"band_gap":3.2776,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":39.9995275,"is_theoretical":true,"updated_at":"2021-11-28T01:39:56.722000Z","spacegroup":62},{"id":"mp-27615","created_at":"2022-09-04T14:48:27.951176Z","structure_string":"U2 P8 O24\n1.0\n6.545881 5.961240 0.000000\n-6.545881 5.961240 0.000000\n0.000000 5.928265 6.008315\nU P O\n2 8 24\ndirect\n0.657921 0.093922 0.007131 U\n0.093922 0.657921 0.007131 U\n0.134963 0.902939 0.252331 P\n0.849680 0.617930 0.760831 P\n0.369127 0.143332 0.481170 P\n0.605783 0.378672 0.538722 P\n0.902939 0.134963 0.252331 P\n0.143332 0.369127 0.481170 P\n0.378672 0.605783 0.538722 P\n0.617930 0.849680 0.760831 P\n0.780790 0.529262 0.310602 O\n0.901589 0.661481 0.884081 O\n0.702102 0.702102 0.737048 O\n0.730183 0.029137 0.505886 O\n0.503961 0.130616 0.300926 O\n0.627081 0.253027 0.714583 O\n0.085379 0.846840 0.135371 O\n0.661481 0.901589 0.884081 O\n0.477743 0.251356 0.527533 O\n0.846840 0.085379 0.135371 O\n0.986373 0.337957 0.158092 O\n0.130616 0.503961 0.300926 O\n0.029137 0.730183 0.505886 O\n0.772159 0.416726 0.849085 O\n0.253027 0.627081 0.714583 O\n0.052942 0.052942 0.272817 O\n0.285374 0.285374 0.381869 O\n0.964910 0.212631 0.700157 O\n0.472812 0.472812 0.630902 O\n0.416726 0.772159 0.849085 O\n0.529262 0.780790 0.310602 O\n0.337957 0.986373 0.158092 O\n0.251356 0.477743 0.527533 O\n0.212631 0.964910 0.700157 O\n","nsites":34,"nelements":3,"elements":["U","P","O"],"chemical_system":"O-P-U","density":3.9231615810987552,"density_atomic":0.07250893312998712,"volume":468.90774049934004,"volume_molar":8.30537769629582,"formula_full":"U2 P8 O24","formula_reduced":"U(PO3)4","formula_anonymous":"AB4C12","energy":-280.8940210999999,"energy_per_atom":-8.261588855882351,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-264.4060211,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9992929,"is_theoretical":true,"updated_at":"2021-11-28T01:39:56.709000Z","spacegroup":8},{"id":"mp-1047051","created_at":"2022-09-04T14:48:31.335177Z","structure_string":"Ti6 Zn2 P8 O28\n1.0\n7.891310 0.000000 0.000000\n0.000000 7.628516 0.000000\n0.000000 3.670323 9.067229\nTi Zn P O\n6 2 8 28\ndirect\n0.135395 0.815735 0.527153 Ti\n0.635395 0.184265 0.972847 Ti\n0.864605 0.184265 0.472847 Ti\n0.364605 0.815735 0.027153 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.950694 0.393480 0.698827 P\n0.450694 0.606520 0.801173 P\n0.049306 0.606520 0.301173 P\n0.549306 0.393480 0.198827 P\n0.205890 0.116697 0.690962 P\n0.705890 0.883303 0.809038 P\n0.794110 0.883303 0.309038 P\n0.294110 0.116697 0.190962 P\n0.377143 0.136324 0.616377 O\n0.877143 0.863676 0.883623 O\n0.622857 0.863676 0.383623 O\n0.122857 0.136324 0.116377 O\n0.391836 0.732968 0.641224 O\n0.891836 0.267032 0.858776 O\n0.608164 0.267032 0.358776 O\n0.108164 0.732968 0.141224 O\n0.835542 0.352233 0.589361 O\n0.335542 0.647767 0.910639 O\n0.164458 0.647767 0.410639 O\n0.664458 0.352233 0.089361 O\n0.140028 0.319466 0.677736 O\n0.640028 0.680534 0.822264 O\n0.859972 0.680534 0.322264 O\n0.359972 0.319466 0.177736 O\n0.521154 0.600623 0.170892 O\n0.021154 0.399377 0.329108 O\n0.478846 0.399377 0.829108 O\n0.978846 0.600623 0.670892 O\n0.790426 0.992431 0.139761 O\n0.290426 0.007569 0.360239 O\n0.209574 0.007569 0.860239 O\n0.709574 0.992431 0.639761 O\n0.422823 0.032956 0.111350 O\n0.922823 0.967044 0.388650 O\n0.577177 0.967044 0.888650 O\n0.077177 0.032956 0.611350 O\n","nsites":44,"nelements":4,"elements":["Ti","Zn","P","O"],"chemical_system":"O-P-Ti-Zn","density":3.3883631253648256,"density_atomic":0.08061000095440086,"volume":545.8379788990418,"volume_molar":7.470711684281681,"formula_full":"Ti6 Zn2 P8 O28","formula_reduced":"Ti3Zn(P2O7)2","formula_anonymous":"AB3C4D14","energy":-345.71426476,"energy_per_atom":-7.857142380909091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-326.47826476,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0000994,"is_theoretical":true,"updated_at":"2021-11-28T01:39:56.702000Z","spacegroup":14},{"id":"mp-1217371","created_at":"2022-09-04T14:48:30.957094Z","structure_string":"Te3 Mo2 Se1\n1.0\n1.749751 -3.030657 0.000000\n1.749751 3.030657 0.000000\n0.000000 0.000000 15.095058\nTe Mo Se\n3 2 1\ndirect\n0.333333 0.666667 0.872749 Te\n0.333333 0.666667 0.629771 Te\n0.666667 0.333333 0.366065 Te\n0.666667 0.333333 0.751162 Mo\n0.333333 0.666667 0.243311 Mo\n0.666667 0.333333 0.136943 Se\n","nsites":6,"nelements":3,"elements":["Te","Mo","Se"],"chemical_system":"Mo-Se-Te","density":6.779690987920371,"density_atomic":0.03747774320972031,"volume":160.09501870016086,"volume_molar":16.068578959786684,"formula_full":"Te3 Mo2 Se1","formula_reduced":"Te3Mo2Se","formula_anonymous":"AB2C3","energy":-38.49797602,"energy_per_atom":-6.416329336666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.75997602,"band_gap":0.8305000000000007,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002026,"is_theoretical":true,"updated_at":"2021-11-28T01:39:56.648000Z","spacegroup":156},{"id":"mp-1520689","created_at":"2022-09-04T14:48:16.240854Z","structure_string":"Ba1 Sr1 Ti4 O12\n1.0\n5.575787 0.000000 -0.000000\n0.000000 5.575787 0.000000\n0.000000 0.000000 7.879649\nBa Sr Ti O\n1 1 4 12\ndirect\n0.500000 0.500000 0.000000 Ba\n-0.000000 0.000000 0.500000 Sr\n-0.000000 0.500000 0.748006 Ti\n-0.000000 0.500000 0.251994 Ti\n0.500000 -0.000000 0.748006 Ti\n0.500000 0.000000 0.251994 Ti\n0.247252 0.247252 0.745219 O\n0.247252 0.247252 0.254781 O\n0.752748 0.752748 0.745219 O\n0.752748 0.752748 0.254781 O\n0.752748 0.247252 0.745219 O\n0.752748 0.247252 0.254781 O\n0.247252 0.752748 0.745219 O\n0.247252 0.752748 0.254781 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 -0.000000 0.500000 O\n0.500000 -0.000000 -0.000000 O\n","nsites":18,"nelements":4,"elements":["Ba","Sr","Ti","O"],"chemical_system":"Ba-O-Sr-Ti","density":4.124056898780956,"density_atomic":0.07347731583901981,"volume":244.97356489499276,"volume_molar":8.195918279314672,"formula_full":"Ba1 Sr1 Ti4 O12","formula_reduced":"BaSrTi4O12","formula_anonymous":"ABC4D12","energy":-148.01656803,"energy_per_atom":-8.223142668333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-139.77256803,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9999995,"is_theoretical":true,"updated_at":"2021-11-28T01:39:56.618000Z","spacegroup":123},{"id":"mp-18713","created_at":"2022-09-04T14:48:31.334565Z","structure_string":"Ba4 Li2 Cu6 O12\n1.0\n0.000000 5.782446 7.118254\n4.167660 0.000000 7.118254\n4.167660 5.782446 0.000000\nBa Li Cu O\n4 2 6 12\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.230220 0.769780 0.230220 Ba\n0.769780 0.230220 0.769780 Ba\n0.665787 0.665787 0.334213 Li\n0.334213 0.334213 0.665787 Li\n0.995863 0.310067 0.004137 Cu\n0.689933 0.004137 0.310067 Cu\n0.004137 0.689933 0.995863 Cu\n0.310067 0.995863 0.689933 Cu\n0.679101 0.320899 0.320899 Cu\n0.320899 0.679101 0.679101 Cu\n0.897242 0.295245 0.322672 O\n0.484841 0.322672 0.295245 O\n0.677328 0.515159 0.102758 O\n0.704755 0.102758 0.515159 O\n0.102758 0.704755 0.677328 O\n0.515159 0.677328 0.704755 O\n0.921621 0.693717 0.306283 O\n0.078379 0.306283 0.693717 O\n0.322672 0.484841 0.897242 O\n0.295245 0.897242 0.484841 O\n0.693717 0.921621 0.078379 O\n0.306283 0.078379 0.921621 O\n","nsites":24,"nelements":4,"elements":["Ba","Li","Cu","O"],"chemical_system":"Ba-Cu-Li-O","density":5.50041489350174,"density_atomic":0.06995260591271399,"volume":343.08943443718033,"volume_molar":8.608886947706214,"formula_full":"Ba4 Li2 Cu6 O12","formula_reduced":"Ba2Li(CuO2)3","formula_anonymous":"AB2C3D6","energy":-139.24791846,"energy_per_atom":-5.8019966025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-131.00391846,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0002612,"is_theoretical":false,"updated_at":"2021-11-28T01:39:56.610000Z","spacegroup":69},{"id":"mp-722867","created_at":"2022-09-04T14:48:29.812470Z","structure_string":"Ca6 Cu10 Si18 O52\n1.0\n5.120974 5.051973 -0.135425\n-5.120974 5.051973 0.135425\n0.017651 0.000000 20.206722\nCa Cu Si O\n6 10 18 52\ndirect\n0.273804 0.273804 0.750000 Ca\n0.726196 0.726196 0.250000 Ca\n0.711020 0.762415 0.929849 Ca\n0.762415 0.711020 0.570151 Ca\n0.288980 0.237585 0.070151 Ca\n0.237585 0.288980 0.429849 Ca\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.973929 0.510478 0.839548 Cu\n0.510478 0.973929 0.660452 Cu\n0.026071 0.489522 0.160452 Cu\n0.489522 0.026071 0.339548 Cu\n0.960976 0.017691 0.828629 Cu\n0.017691 0.960976 0.671371 Cu\n0.039024 0.982309 0.171371 Cu\n0.982309 0.039024 0.328629 Cu\n0.243281 0.247770 0.911476 Si\n0.247770 0.243281 0.588524 Si\n0.756719 0.752230 0.088524 Si\n0.752230 0.756719 0.411476 Si\n0.654650 0.256099 0.906903 Si\n0.256099 0.654650 0.593097 Si\n0.345350 0.743901 0.093097 Si\n0.743901 0.345350 0.406903 Si\n0.693139 0.237233 0.195702 Si\n0.237233 0.693139 0.304298 Si\n0.306861 0.762767 0.804298 Si\n0.762767 0.306861 0.695702 Si\n0.280199 0.280199 0.250000 Si\n0.719801 0.719801 0.750000 Si\n0.750312 0.180548 0.051279 Si\n0.180548 0.750312 0.448721 Si\n0.249688 0.819452 0.948721 Si\n0.819452 0.249688 0.551279 Si\n0.442682 0.264237 0.871663 O\n0.264237 0.442682 0.628337 O\n0.557318 0.735763 0.128337 O\n0.735763 0.557318 0.371663 O\n0.082911 0.257430 0.852212 O\n0.257430 0.082911 0.647788 O\n0.917089 0.742570 0.147788 O\n0.742570 0.917089 0.352212 O\n0.152097 0.235075 0.183941 O\n0.235075 0.152097 0.316059 O\n0.847903 0.764925 0.816059 O\n0.764925 0.847903 0.683941 O\n0.229661 0.401211 0.968033 O\n0.401211 0.229661 0.531967 O\n0.770339 0.598789 0.031967 O\n0.598789 0.770339 0.468033 O\n0.805564 0.430078 0.209389 O\n0.430078 0.805564 0.290611 O\n0.194436 0.569922 0.790611 O\n0.569922 0.194436 0.709389 O\n0.763456 0.452345 0.894583 O\n0.452345 0.763456 0.605417 O\n0.236544 0.547655 0.105417 O\n0.547655 0.236544 0.394583 O\n0.806142 0.049310 0.215500 O\n0.049310 0.806142 0.284500 O\n0.193858 0.950690 0.784500 O\n0.950690 0.193858 0.715500 O\n0.611809 0.234601 0.988165 O\n0.234601 0.611809 0.511835 O\n0.388191 0.765399 0.011835 O\n0.765399 0.388191 0.488165 O\n0.619606 0.227646 0.115969 O\n0.227646 0.619606 0.384031 O\n0.380394 0.772354 0.884031 O\n0.772354 0.380394 0.615969 O\n0.501122 0.244449 0.238116 O\n0.244449 0.501122 0.261884 O\n0.498878 0.755551 0.761884 O\n0.755551 0.498878 0.738116 O\n0.956312 0.270871 0.054201 O\n0.270871 0.956312 0.445799 O\n0.043688 0.729129 0.945799 O\n0.729129 0.043688 0.554201 O\n0.233765 0.047371 0.952133 O\n0.047371 0.233765 0.547867 O\n0.766235 0.952629 0.047867 O\n0.952629 0.766235 0.452133 O\n0.066391 0.753317 0.614968 O\n0.753317 0.066391 0.885032 O\n0.933609 0.246683 0.385032 O\n0.246683 0.933609 0.114968 O\n","nsites":86,"nelements":4,"elements":["Ca","Cu","Si","O"],"chemical_system":"Ca-Cu-O-Si","density":3.5153335675115502,"density_atomic":0.08225247314393347,"volume":1045.5612665835438,"volume_molar":7.3215315355464945,"formula_full":"Ca6 Cu10 Si18 O52","formula_reduced":"Ca3Cu5Si9O26","formula_anonymous":"A3B5C9D26","energy":-643.8202571200001,"energy_per_atom":-7.486282059534885,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-608.09625712,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9996466,"is_theoretical":false,"updated_at":"2021-11-28T01:39:56.609000Z","spacegroup":15}]}