{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=12161","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=12159","results":[{"id":"mp-12062","created_at":"2022-09-04T14:39:06.286378Z","structure_string":"Ag1 B2\n1.0\n1.513402 -2.621289 0.000000\n1.513402 2.621289 0.000000\n0.000000 0.000000 4.063922\nAg B\n1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n","nsites":3,"nelements":2,"elements":["Ag","B"],"chemical_system":"Ag-B","density":6.668703845978472,"density_atomic":0.09304149640925903,"volume":32.243677453380414,"volume_molar":6.472532141476506,"formula_full":"Ag1 B2","formula_reduced":"AgB2","formula_anonymous":"AB2","energy":-14.619873950000002,"energy_per_atom":-4.873291316666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.619873950000002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006201,"is_theoretical":false,"updated_at":"2021-11-28T01:34:38.030000Z","spacegroup":191},{"id":"mp-1094087","created_at":"2022-09-04T14:39:06.285202Z","structure_string":"Sr10 Fe10 O29\n1.0\n3.906013 0.000000 0.000000\n0.000000 7.851838 0.000000\n0.000000 0.000000 19.695936\nSr Fe O\n10 10 29\ndirect\n0.000000 0.254295 0.702295 Sr\n0.000000 0.250688 0.900248 Sr\n0.000000 0.250688 0.099752 Sr\n0.000000 0.254295 0.297705 Sr\n0.000000 0.266657 0.500000 Sr\n0.000000 0.745705 0.702295 Sr\n0.000000 0.749312 0.900248 Sr\n0.000000 0.749312 0.099752 Sr\n0.000000 0.745705 0.297705 Sr\n0.000000 0.733343 0.500000 Sr\n0.500000 0.000000 0.606344 Fe\n0.500000 0.000000 0.801466 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.198534 Fe\n0.500000 0.000000 0.393656 Fe\n0.500000 0.500000 0.600172 Fe\n0.500000 0.500000 0.800350 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.199650 Fe\n0.500000 0.500000 0.399828 Fe\n0.500000 0.240069 0.593371 O\n0.500000 0.250564 0.798826 O\n0.500000 0.248660 0.000000 O\n0.500000 0.250564 0.201174 O\n0.500000 0.240069 0.406629 O\n0.500000 0.759931 0.593371 O\n0.500000 0.749436 0.798826 O\n0.500000 0.751340 0.000000 O\n0.500000 0.749436 0.201174 O\n0.500000 0.759931 0.406629 O\n0.500000 0.000000 0.701596 O\n0.500000 0.000000 0.898949 O\n0.500000 0.000000 0.101051 O\n0.500000 0.000000 0.298404 O\n0.500000 0.500000 0.698108 O\n0.500000 0.500000 0.900762 O\n0.500000 0.500000 0.099238 O\n0.500000 0.500000 0.301892 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.586903 O\n0.000000 0.000000 0.799124 O\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.200876 O\n0.000000 0.000000 0.413097 O\n0.000000 0.500000 0.600077 O\n0.000000 0.500000 0.798667 O\n0.000000 0.500000 0.000000 O\n0.000000 0.500000 0.201333 O\n0.000000 0.500000 0.399923 O\n","nsites":49,"nelements":3,"elements":["Sr","Fe","O"],"chemical_system":"Fe-O-Sr","density":5.219253506192597,"density_atomic":0.08111747818280303,"volume":604.0621712817009,"volume_molar":7.423974333162516,"formula_full":"Sr10 Fe10 O29","formula_reduced":"Sr10Fe10O29","formula_anonymous":"A10B10C29","energy":-355.37529238,"energy_per_atom":-7.2525569873469395,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-312.89229238,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":43.3611615,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.967000Z","spacegroup":47},{"id":"mp-707172","created_at":"2022-09-04T14:39:06.282540Z","structure_string":"K6 P8 H10 O28\n1.0\n4.521760 8.729400 0.000000\n-4.521760 8.729400 0.000000\n0.000000 7.037380 8.601798\nK P H O\n6 8 10 28\ndirect\n0.438810 0.561190 0.750000 K\n0.561190 0.438810 0.250000 K\n0.208218 0.095375 0.615743 K\n0.904625 0.791782 0.884257 K\n0.791782 0.904625 0.384257 K\n0.095375 0.208218 0.115743 K\n0.873501 0.485025 0.807091 P\n0.514975 0.126499 0.692909 P\n0.126499 0.514975 0.192909 P\n0.485025 0.873501 0.307091 P\n0.729227 0.207501 0.983949 P\n0.792499 0.270773 0.516051 P\n0.270773 0.792499 0.016051 P\n0.207501 0.729227 0.483949 P\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.507007 0.149746 0.051723 H\n0.850254 0.492993 0.448277 H\n0.492993 0.850254 0.948277 H\n0.149746 0.507007 0.551723 H\n0.726755 0.776874 0.730813 H\n0.223126 0.273245 0.769187 H\n0.273245 0.223126 0.269187 H\n0.776874 0.726755 0.230813 H\n0.859111 0.492983 0.945010 O\n0.507017 0.140889 0.554990 O\n0.140889 0.507017 0.054990 O\n0.492983 0.859111 0.445010 O\n0.800723 0.676841 0.687734 O\n0.323159 0.199277 0.812266 O\n0.199277 0.323159 0.312266 O\n0.676841 0.800723 0.187734 O\n0.056217 0.381005 0.711970 O\n0.618995 0.943783 0.788030 O\n0.943783 0.618995 0.288030 O\n0.381005 0.056217 0.211970 O\n0.733850 0.403317 0.861086 O\n0.596683 0.266150 0.638914 O\n0.266150 0.596683 0.138914 O\n0.403317 0.733850 0.361086 O\n0.911029 0.067876 0.922726 O\n0.932124 0.088971 0.577274 O\n0.088971 0.932124 0.077274 O\n0.067876 0.911029 0.422726 O\n0.677023 0.186942 0.146768 O\n0.813058 0.322977 0.353232 O\n0.322977 0.813058 0.853232 O\n0.186942 0.677023 0.646768 O\n0.585581 0.215771 0.953162 O\n0.784229 0.414419 0.546838 O\n0.414419 0.784229 0.046838 O\n0.215771 0.585581 0.453162 O\n","nsites":52,"nelements":4,"elements":["K","P","H","O"],"chemical_system":"H-K-O-P","density":2.2996948131716612,"density_atomic":0.07657591703372736,"volume":679.0646722140714,"volume_molar":7.864275079262305,"formula_full":"K6 P8 H10 O28","formula_reduced":"K3P4H5O14","formula_anonymous":"A3B4C5D14","energy":-341.61934265,"energy_per_atom":-6.569602743269231,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-322.38334265,"band_gap":5.4137,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015392,"is_theoretical":false,"updated_at":"2021-11-28T01:34:25.633000Z","spacegroup":15},{"id":"mp-1289263","created_at":"2022-09-04T14:39:06.279940Z","structure_string":"Fe4 Cu2 O8\n1.0\n2.989678 -3.017344 4.266551\n2.989224 3.016734 -4.266659\n2.989067 3.017267 4.266932\nFe Cu O\n4 2 8\ndirect\n0.749986 0.375011 0.874996 Fe\n0.250010 0.375011 0.374998 Fe\n0.750021 0.375016 0.374993 Fe\n0.249992 0.874991 0.374980 Fe\n0.999949 0.003450 0.996566 Cu\n0.500028 0.746695 0.753241 Cu\n0.771370 0.610566 0.618107 O\n0.231500 0.615886 0.615761 O\n0.768590 0.152947 0.615565 O\n0.268710 0.134254 0.134321 O\n0.728502 0.139391 0.132035 O\n0.228521 0.610449 0.160774 O\n0.271626 0.139550 0.589128 O\n0.731195 0.596783 0.134535 O\n","nsites":14,"nelements":3,"elements":["Fe","Cu","O"],"chemical_system":"Cu-Fe-O","density":5.160939067985094,"density_atomic":0.0909401149017153,"volume":153.9474632853794,"volume_molar":6.622094953924906,"formula_full":"Fe4 Cu2 O8","formula_reduced":"Fe2CuO4","formula_anonymous":"AB2C4","energy":-101.33551769,"energy_per_atom":-7.238251263571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.81551769,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.0002686,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.245000Z","spacegroup":74},{"id":"mp-1062643","created_at":"2022-09-04T14:39:06.271034Z","structure_string":"Co1 O2\n1.0\n0.000000 2.366963 9.059589\n1.388587 0.000000 9.059589\n1.388587 2.366963 0.000000\nCo O\n1 2\ndirect\n0.987885 0.012115 0.987885 Co\n0.744370 0.379855 0.620145 O\n0.620145 0.255630 0.744370 O\n","nsites":3,"nelements":2,"elements":["Co","O"],"chemical_system":"Co-O","density":2.5354950158813003,"density_atomic":0.05037536420659958,"volume":59.552919313821576,"volume_molar":11.954535425891873,"formula_full":"Co1 O2","formula_reduced":"CoO2","formula_anonymous":"AB2","energy":-18.68462858,"energy_per_atom":-6.228209526666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.67262858,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.6573725,"is_theoretical":false,"updated_at":"2021-11-28T01:34:30.504000Z","spacegroup":42},{"id":"mp-28313","created_at":"2022-09-04T14:39:06.270575Z","structure_string":"Nd4 Cl8\n1.0\n3.601588 0.000000 0.000000\n0.000000 8.762357 0.000000\n0.000000 0.000000 10.089425\nNd Cl\n4 8\ndirect\n0.250000 0.127637 0.178906 Nd\n0.750000 0.872363 0.821094 Nd\n0.250000 0.372363 0.678906 Nd\n0.750000 0.627637 0.321094 Nd\n0.250000 0.450110 0.161677 Cl\n0.750000 0.549890 0.838323 Cl\n0.250000 0.049890 0.661677 Cl\n0.750000 0.950110 0.338323 Cl\n0.250000 0.832982 0.046953 Cl\n0.750000 0.167018 0.953047 Cl\n0.250000 0.667018 0.546953 Cl\n0.750000 0.332982 0.453047 Cl\n","nsites":12,"nelements":2,"elements":["Nd","Cl"],"chemical_system":"Cl-Nd","density":4.488125698282933,"density_atomic":0.0376877192160375,"volume":318.40610813332427,"volume_molar":15.97905335018883,"formula_full":"Nd4 Cl8","formula_reduced":"NdCl2","formula_anonymous":"AB2","energy":-61.63608056,"energy_per_atom":-5.136340046666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-56.72408056,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9366578,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.935000Z","spacegroup":62},{"id":"mp-1036569","created_at":"2022-09-04T14:39:06.263791Z","structure_string":"Mg14 Al1 Si1 O16\n1.0\n8.643290 0.000000 0.000000\n0.000000 8.643290 0.000000\n0.000000 0.000000 4.300287\nMg Al Si O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.249839 0.000000 0.500000 Mg\n0.750161 0.000000 0.500000 Mg\n0.247372 0.500000 0.500000 Mg\n0.752628 0.500000 0.500000 Mg\n0.000000 0.249839 0.500000 Mg\n0.500000 0.247372 0.500000 Mg\n0.000000 0.750161 0.500000 Mg\n0.500000 0.752628 0.500000 Mg\n0.250268 0.250268 0.000000 Mg\n0.749732 0.250268 0.000000 Mg\n0.250268 0.749732 0.000000 Mg\n0.749732 0.749732 0.000000 Mg\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Si\n0.000000 0.228659 0.000000 O\n0.500000 0.233830 0.000000 O\n0.000000 0.771341 0.000000 O\n0.500000 0.766170 0.000000 O\n0.250919 0.250919 0.500000 O\n0.749081 0.250919 0.500000 O\n0.250919 0.749081 0.500000 O\n0.749081 0.749081 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.228659 0.000000 0.000000 O\n0.771341 0.000000 0.000000 O\n0.233830 0.500000 0.000000 O\n0.766170 0.500000 0.000000 O\n","nsites":32,"nelements":4,"elements":["Mg","Al","Si","O"],"chemical_system":"Al-Mg-O-Si","density":3.366610402138357,"density_atomic":0.09960803383977673,"volume":321.25922745823095,"volume_molar":6.045838400632262,"formula_full":"Mg14 Al1 Si1 O16","formula_reduced":"Mg14AlSiO16","formula_anonymous":"ABC14D16","energy":-200.50714773,"energy_per_atom":-6.2658483665625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-189.51514773,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022621,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.979000Z","spacegroup":123},{"id":"mp-1290773","created_at":"2022-09-04T14:39:06.263549Z","structure_string":"Li2 Fe4 C8 O24\n1.0\n-1.993804 -2.134546 -4.606720\n-7.532970 6.472822 -0.860578\n7.571351 4.847917 -4.439178\nLi Fe C O\n2 4 8 24\ndirect\n0.407696 0.357589 0.178442 Li\n0.913391 0.854618 0.679506 Li\n0.359214 0.010545 0.507522 Fe\n0.601850 0.485754 0.487318 Fe\n0.843738 0.511911 0.005839 Fe\n0.105223 0.987725 0.989778 Fe\n0.950012 0.704170 0.918071 C\n0.456745 0.203818 0.419562 C\n0.711374 0.417924 0.704789 C\n0.217420 0.914393 0.206640 C\n0.712994 0.576642 0.293414 C\n0.213954 0.075640 0.791844 C\n0.912020 0.284597 0.075244 C\n0.416532 0.781214 0.573121 C\n0.005589 0.808689 0.870154 O\n0.505053 0.307918 0.368884 O\n0.723829 0.675410 0.915627 O\n0.232472 0.170089 0.413466 O\n0.490187 0.410392 0.645560 O\n0.994340 0.909604 0.152309 O\n0.865991 0.457179 0.632113 O\n0.370089 0.952101 0.130307 O\n0.770965 0.389049 0.821046 O\n0.288475 0.885524 0.321695 O\n0.116471 0.623895 0.968384 O\n0.625625 0.127571 0.473851 O\n0.774028 0.620911 0.192258 O\n0.291212 0.118613 0.693967 O\n0.693747 0.348289 0.071953 O\n0.202054 0.849563 0.573622 O\n0.866511 0.552717 0.393309 O\n0.363160 0.052634 0.896045 O\n0.486152 0.550121 0.305339 O\n0.987537 0.049371 0.798992 O\n0.093646 0.357604 0.063633 O\n0.602787 0.849091 0.558426 O\n0.946386 0.160098 0.089564 O\n0.437057 0.657093 0.588979 O\n","nsites":38,"nelements":4,"elements":["Li","Fe","C","O"],"chemical_system":"C-Fe-Li-O","density":2.2548760621181776,"density_atomic":0.07193433676158695,"volume":528.2595448950057,"volume_molar":8.37171930834543,"formula_full":"Li2 Fe4 C8 O24","formula_reduced":"LiFe2(CO3)4","formula_anonymous":"AB2C4D12","energy":-294.95861428,"energy_per_atom":-7.762068796842105,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-269.44661428,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0379104,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.056000Z","spacegroup":1},{"id":"mp-15120","created_at":"2022-09-04T14:39:06.260866Z","structure_string":"Rb2 Fe4 Se6\n1.0\n4.842460 -6.070477 0.000000\n4.842460 6.070477 0.000000\n0.000000 0.000000 5.453814\nRb Fe Se\n2 4 6\ndirect\n0.665681 0.334319 0.250000 Rb\n0.334319 0.665681 0.750000 Rb\n0.869135 0.869135 0.000000 Fe\n0.130865 0.130865 0.500000 Fe\n0.130865 0.130865 0.000000 Fe\n0.869135 0.869135 0.500000 Fe\n0.843589 0.618860 0.750000 Se\n0.156411 0.381140 0.250000 Se\n0.870408 0.129592 0.750000 Se\n0.129592 0.870408 0.250000 Se\n0.381140 0.156411 0.750000 Se\n0.618860 0.843589 0.250000 Se\n","nsites":12,"nelements":3,"elements":["Rb","Fe","Se"],"chemical_system":"Fe-Rb-Se","density":4.495597991849958,"density_atomic":0.03742502231370125,"volume":320.64109139106154,"volume_molar":16.09121488164164,"formula_full":"Rb2 Fe4 Se6","formula_reduced":"RbFe2Se3","formula_anonymous":"AB2C3","energy":-65.72341589999999,"energy_per_atom":-5.476951324999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.8914159,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.1149745,"is_theoretical":false,"updated_at":"2021-11-28T01:34:33.151000Z","spacegroup":63},{"id":"mp-1043764","created_at":"2022-09-04T14:39:06.259198Z","structure_string":"Ti2 Bi2 P6 O24\n1.0\n9.000601 -0.033015 -0.023023\n4.724995 7.660700 -0.023023\n4.724995 2.625808 7.196666\nTi Bi P O\n2 2 6 24\ndirect\n0.139399 0.139399 0.139399 Ti\n0.639399 0.639399 0.639399 Ti\n0.354370 0.354370 0.354370 Bi\n0.854370 0.854370 0.854370 Bi\n0.033268 0.455417 0.754164 P\n0.455417 0.754164 0.033268 P\n0.754164 0.033268 0.455417 P\n0.254164 0.955417 0.533268 P\n0.533268 0.254164 0.955417 P\n0.955417 0.533268 0.254164 P\n0.118297 0.528544 0.276662 O\n0.276662 0.118297 0.528544 O\n0.057343 0.283140 0.929178 O\n0.528544 0.276662 0.118297 O\n0.028544 0.618297 0.776662 O\n0.220311 0.429398 0.590795 O\n0.283140 0.929178 0.057343 O\n0.429398 0.590795 0.220311 O\n0.217161 0.998883 0.365416 O\n0.590795 0.220311 0.429398 O\n0.090795 0.929398 0.720311 O\n0.365416 0.217161 0.998883 O\n0.618297 0.776662 0.028544 O\n0.929178 0.057343 0.283140 O\n0.429178 0.783140 0.557343 O\n0.776662 0.028544 0.618297 O\n0.557343 0.429178 0.783140 O\n0.720311 0.090795 0.929398 O\n0.783140 0.557343 0.429178 O\n0.998883 0.365416 0.217161 O\n0.498883 0.717161 0.865416 O\n0.929398 0.720311 0.090795 O\n0.717161 0.865416 0.498883 O\n0.865416 0.498883 0.717161 O\n","nsites":34,"nelements":4,"elements":["Ti","Bi","P","O"],"chemical_system":"Bi-O-P-Ti","density":3.609765156940093,"density_atomic":0.06821354890176425,"volume":498.4347031843206,"volume_molar":8.828364536014115,"formula_full":"Ti2 Bi2 P6 O24","formula_reduced":"TiBi(PO4)3","formula_anonymous":"ABC3D12","energy":-260.51060588,"energy_per_atom":-7.662076643529412,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-244.02260588,"band_gap":0.2206,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2.51e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.425000Z","spacegroup":161},{"id":"mp-760377","created_at":"2022-09-04T14:39:06.258330Z","structure_string":"Li2 Nb1 P2 O8\n1.0\n2.470495 -4.279023 0.000000\n2.470495 4.279023 0.000000\n0.000000 0.000000 7.721113\nLi Nb P O\n2 1 2 8\ndirect\n0.333333 0.666667 0.666855 Li\n0.666667 0.333333 0.333145 Li\n0.000000 0.000000 0.000000 Nb\n0.333333 0.666667 0.233261 P\n0.666667 0.333333 0.766739 P\n0.037621 0.675894 0.160930 O\n0.333333 0.666667 0.427027 O\n0.324106 0.361727 0.160930 O\n0.638273 0.962379 0.160930 O\n0.361727 0.037621 0.839070 O\n0.675894 0.638273 0.839070 O\n0.666667 0.333333 0.572973 O\n0.962379 0.324106 0.839070 O\n","nsites":13,"nelements":4,"elements":["Li","Nb","P","O"],"chemical_system":"Li-Nb-O-P","density":3.018378269861188,"density_atomic":0.07963515836413376,"volume":163.24447978815053,"volume_molar":7.5621633505939805,"formula_full":"Li2 Nb1 P2 O8","formula_reduced":"Li2Nb(PO4)2","formula_anonymous":"AB2C2D8","energy":-99.48786023,"energy_per_atom":-7.652912325384615,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.99186023,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9996985,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.419000Z","spacegroup":147},{"id":"mp-21331","created_at":"2022-09-04T14:39:06.248611Z","structure_string":"K2 Rb1 Gd1 V2 O8\n1.0\n3.034372 -5.255686 0.000000\n3.034372 5.255686 0.000000\n0.000000 0.000000 7.852686\nK Rb Gd V O\n2 1 1 2 8\ndirect\n0.666667 0.333333 0.799826 K\n0.333333 0.666667 0.200174 K\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Gd\n0.666667 0.333333 0.251845 V\n0.333333 0.666667 0.748155 V\n0.824365 0.175635 0.174088 O\n0.824365 0.648731 0.174088 O\n0.351269 0.175635 0.174088 O\n0.648731 0.824365 0.825912 O\n0.175635 0.351269 0.825912 O\n0.175635 0.824365 0.825912 O\n0.333333 0.666667 0.533534 O\n0.666667 0.333333 0.466466 O\n","nsites":14,"nelements":5,"elements":["K","Rb","Gd","V","O"],"chemical_system":"Gd-K-O-Rb-V","density":3.6516633602295614,"density_atomic":0.05589610877025434,"volume":250.46466217430572,"volume_molar":10.773810364425119,"formula_full":"K2 Rb1 Gd1 V2 O8","formula_reduced":"K2RbGdV2O8","formula_anonymous":"ABC2D2E8","energy":-113.04033522,"energy_per_atom":-8.074309658571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-104.14433522,"band_gap":3.1889000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0030812,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.848000Z","spacegroup":164}]}