{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=created_at&page=23","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=created_at&page=21","results":[{"id":"mp-1076597","created_at":"2022-09-04T14:39:05.851911Z","structure_string":"Sr7 Ca1 Mn2 Fe6 O24\n1.0\n5.531550 -5.532479 0.000000\n5.531550 5.532479 0.000000\n0.000000 0.000000 7.779630\nSr Ca Mn Fe O\n7 1 2 6 24\ndirect\n0.749410 0.250620 0.500000 Sr\n0.250591 0.250591 0.500000 Sr\n0.250620 0.749410 0.500000 Sr\n0.749387 0.250579 0.000000 Sr\n0.250576 0.250576 0.000000 Sr\n0.749420 0.749420 0.000000 Sr\n0.250579 0.749387 0.000000 Sr\n0.749355 0.749355 0.500000 Ca\n0.500498 0.500498 0.749438 Mn\n0.500498 0.500498 0.250562 Mn\n0.999428 0.999428 0.749423 Fe\n0.500565 0.999388 0.749445 Fe\n0.999388 0.500565 0.749445 Fe\n0.999428 0.999428 0.250577 Fe\n0.500565 0.999388 0.250555 Fe\n0.999388 0.500565 0.250555 Fe\n0.997354 0.997354 0.500000 O\n0.502606 0.997379 0.500000 O\n0.997379 0.502606 0.500000 O\n0.502772 0.502772 0.500000 O\n0.999661 0.999661 0.000000 O\n0.500339 0.999666 0.000000 O\n0.999666 0.500339 0.000000 O\n0.500251 0.500251 0.000000 O\n0.999641 0.249056 0.749660 O\n0.500348 0.254480 0.749680 O\n0.997371 0.750942 0.747333 O\n0.502742 0.745558 0.747276 O\n0.999641 0.249056 0.250340 O\n0.500348 0.254480 0.250320 O\n0.997371 0.750942 0.252667 O\n0.502742 0.745558 0.252724 O\n0.750942 0.997371 0.747333 O\n0.249056 0.999641 0.749660 O\n0.745558 0.502742 0.747276 O\n0.254480 0.500348 0.749680 O\n0.750942 0.997371 0.252667 O\n0.249056 0.999641 0.250340 O\n0.745558 0.502742 0.252724 O\n0.254480 0.500348 0.250320 O\n","nsites":40,"nelements":5,"elements":["Sr","Ca","Mn","Fe","O"],"chemical_system":"Ca-Fe-Mn-O-Sr","density":5.169448461150942,"density_atomic":0.08400486472358525,"volume":476.1628999894048,"volume_molar":7.168800021064995,"formula_full":"Sr7 Ca1 Mn2 Fe6 O24","formula_reduced":"Sr7CaMn2(FeO4)6","formula_anonymous":"AB2C6D7E24","energy":-292.82354661,"energy_per_atom":-7.32058866525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-259.46354661,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":33.0416913,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.155000Z","spacegroup":38},{"id":"mp-862899","created_at":"2022-09-04T14:39:05.855216Z","structure_string":"Pm1 Cd3\n1.0\n0.000000 3.648886 3.648886\n3.648886 0.000000 3.648886\n3.648886 3.648886 0.000000\nPm Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n","nsites":4,"nelements":2,"elements":["Pm","Cd"],"chemical_system":"Cd-Pm","density":8.241288978819496,"density_atomic":0.04116698964313002,"volume":97.16522958504747,"volume_molar":14.628567238471806,"formula_full":"Pm1 Cd3","formula_reduced":"PmCd3","formula_anonymous":"AB3","energy":-8.73406162,"energy_per_atom":-2.183515405,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.73406162,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.003494,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.962000Z","spacegroup":225},{"id":"mp-1197444","created_at":"2022-09-04T14:39:05.855511Z","structure_string":"Li8 Si12 H120 C40 N16\n1.0\n9.854509 7.882931 -2.056875\n9.854509 -7.882931 -2.056875\n-0.027059 -0.000000 -14.466171\nLi Si H C N\n8 12 120 40 16\ndirect\n0.157753 0.836826 0.666627 Li\n0.163174 0.842247 0.833373 Li\n0.842247 0.163174 0.333373 Li\n0.836826 0.157753 0.166627 Li\n0.347539 0.761319 0.649858 Li\n0.238681 0.652461 0.850142 Li\n0.652461 0.238681 0.350142 Li\n0.761319 0.347539 0.149858 Li\n0.151873 0.637088 0.700705 Si\n0.362912 0.848127 0.799295 Si\n0.848127 0.362912 0.299295 Si\n0.637088 0.151873 0.200705 Si\n0.966495 0.775479 0.831314 Si\n0.224521 0.033505 0.668686 Si\n0.033505 0.224521 0.168686 Si\n0.775479 0.966495 0.331314 Si\n0.267231 0.680599 0.496495 Si\n0.319401 0.732769 0.003505 Si\n0.732769 0.319401 0.503505 Si\n0.680599 0.267231 0.996495 Si\n0.112630 0.509021 0.882236 H\n0.490979 0.887370 0.617764 H\n0.887370 0.490979 0.117764 H\n0.509021 0.112630 0.382236 H\n0.171771 0.390773 0.826409 H\n0.609227 0.828229 0.673591 H\n0.828229 0.609227 0.173591 H\n0.390773 0.171771 0.326409 H\n0.246056 0.432303 0.901757 H\n0.567697 0.753944 0.598243 H\n0.753944 0.567697 0.098243 H\n0.432303 0.246056 0.401757 H\n0.374878 0.512843 0.665378 H\n0.487157 0.625122 0.834622 H\n0.625122 0.487157 0.334622 H\n0.512843 0.374878 0.165378 H\n0.395937 0.434794 0.777840 H\n0.565206 0.604063 0.722160 H\n0.604063 0.565206 0.222160 H\n0.434794 0.395937 0.277840 H\n0.323668 0.392625 0.700474 H\n0.607375 0.676332 0.799526 H\n0.676332 0.607375 0.299526 H\n0.392625 0.323668 0.200474 H\n0.929180 0.602134 0.927413 H\n0.397866 0.070820 0.572587 H\n0.070820 0.397866 0.072587 H\n0.602134 0.929180 0.427413 H\n0.809849 0.706988 0.922259 H\n0.293012 0.190151 0.577741 H\n0.190151 0.293012 0.077741 H\n0.706988 0.809849 0.422259 H\n0.862800 0.633767 0.824229 H\n0.366233 0.137200 0.675771 H\n0.137200 0.366233 0.175771 H\n0.633767 0.862800 0.324229 H\n0.022187 0.790547 0.988670 H\n0.209453 0.977813 0.511330 H\n0.977813 0.209453 0.011330 H\n0.790547 0.022187 0.488670 H\n0.007148 0.919183 0.915306 H\n0.080817 0.992852 0.584694 H\n0.992852 0.080817 0.084694 H\n0.919183 0.007148 0.415306 H\n0.891639 0.872109 0.970077 H\n0.127891 0.108361 0.529923 H\n0.108361 0.127891 0.029923 H\n0.872109 0.891639 0.470077 H\n0.911227 0.955013 0.730187 H\n0.044987 0.088773 0.769813 H\n0.088773 0.044987 0.269813 H\n0.955013 0.911227 0.230187 H\n0.850335 0.856343 0.699134 H\n0.143657 0.149665 0.800866 H\n0.149665 0.143657 0.300866 H\n0.856343 0.850335 0.199134 H\n0.798900 0.916840 0.804011 H\n0.083160 0.201100 0.695989 H\n0.201100 0.083160 0.195989 H\n0.916840 0.798900 0.304011 H\n0.138646 0.844258 0.423826 H\n0.155742 0.861354 0.076174 H\n0.861354 0.155742 0.576174 H\n0.844258 0.138646 0.923826 H\n0.198069 0.750060 0.342126 H\n0.249940 0.801931 0.157874 H\n0.801931 0.249940 0.657874 H\n0.750060 0.198069 0.842126 H\n0.089470 0.724280 0.429211 H\n0.275720 0.910530 0.070789 H\n0.910530 0.275720 0.570789 H\n0.724280 0.089470 0.929211 H\n0.364743 0.482230 0.505984 H\n0.517770 0.635257 0.994016 H\n0.635257 0.517770 0.494016 H\n0.482230 0.364743 0.005984 H\n0.229704 0.500441 0.479860 H\n0.499559 0.770296 0.020140 H\n0.770296 0.499559 0.520140 H\n0.500441 0.229704 0.979860 H\n0.331698 0.537620 0.390717 H\n0.462380 0.668302 0.109283 H\n0.668302 0.462380 0.609283 H\n0.537620 0.331698 0.890717 H\n0.463265 0.694241 0.487188 H\n0.305759 0.536735 0.012812 H\n0.536735 0.305759 0.512812 H\n0.694241 0.463265 0.987188 H\n0.416774 0.723442 0.375026 H\n0.276558 0.583226 0.124974 H\n0.583226 0.276558 0.624974 H\n0.723442 0.416774 0.875026 H\n0.378582 0.823652 0.452804 H\n0.176348 0.621418 0.047196 H\n0.621418 0.176348 0.547196 H\n0.823652 0.378582 0.952804 H\n0.133135 0.412148 0.694014 H\n0.587852 0.866865 0.805986 H\n0.866865 0.587852 0.305986 H\n0.412148 0.133135 0.194014 H\n0.989520 0.439062 0.697137 H\n0.560938 0.010480 0.802863 H\n0.010480 0.560938 0.302863 H\n0.439062 0.989520 0.197137 H\n0.074064 0.447159 0.587078 H\n0.552840 0.925936 0.912922 H\n0.925936 0.552840 0.412922 H\n0.447159 0.074064 0.087078 H\n0.955583 0.730939 0.624084 H\n0.269061 0.044417 0.875916 H\n0.044417 0.269061 0.375916 H\n0.730939 0.955583 0.124084 H\n0.973166 0.633133 0.544743 H\n0.366867 0.026834 0.955257 H\n0.026834 0.366867 0.455257 H\n0.633133 0.973166 0.044743 H\n0.887730 0.621178 0.654076 H\n0.378822 0.112270 0.845924 H\n0.112270 0.378822 0.345924 H\n0.621178 0.887730 0.154076 H\n0.189119 0.462989 0.848608 C\n0.537011 0.810881 0.651392 C\n0.810881 0.537011 0.151392 C\n0.462989 0.189119 0.348608 C\n0.337994 0.464700 0.725565 C\n0.535300 0.662006 0.774435 C\n0.662006 0.535300 0.274435 C\n0.464700 0.337994 0.225565 C\n0.885459 0.669032 0.880591 C\n0.330968 0.114541 0.619409 C\n0.114541 0.330968 0.119409 C\n0.669032 0.885459 0.380591 C\n0.974874 0.844765 0.935702 C\n0.155235 0.025126 0.564298 C\n0.025126 0.155235 0.064298 C\n0.844765 0.974874 0.435702 C\n0.874063 0.885303 0.758634 C\n0.114697 0.125937 0.741366 C\n0.125937 0.114697 0.241366 C\n0.885303 0.874063 0.258634 C\n0.163169 0.757164 0.416189 C\n0.242836 0.836831 0.083811 C\n0.836831 0.242836 0.583811 C\n0.757164 0.163169 0.916189 C\n0.301530 0.536334 0.466587 C\n0.463666 0.698470 0.033413 C\n0.698470 0.463666 0.533413 C\n0.536334 0.301530 0.966587 C\n0.393115 0.735728 0.449761 C\n0.264272 0.606885 0.050239 C\n0.606885 0.264272 0.550239 C\n0.735728 0.393115 0.949761 C\n0.064479 0.464640 0.661161 C\n0.535360 0.935521 0.838839 C\n0.935521 0.535360 0.338839 C\n0.464640 0.064479 0.161161 C\n0.964530 0.644219 0.620264 C\n0.355781 0.035470 0.879736 C\n0.035470 0.355781 0.379736 C\n0.644219 0.964530 0.120264 C\n0.237639 0.530599 0.769418 N\n0.469401 0.762361 0.730582 N\n0.762361 0.469401 0.230582 N\n0.530599 0.237639 0.269418 N\n0.096867 0.733891 0.777241 N\n0.266109 0.903133 0.722759 N\n0.903133 0.266109 0.222759 N\n0.733891 0.096867 0.277241 N\n0.233288 0.698171 0.613410 N\n0.301829 0.766712 0.886590 N\n0.766712 0.301829 0.386590 N\n0.698171 0.233288 0.113410 N\n0.056069 0.578797 0.666024 N\n0.421203 0.943931 0.833976 N\n0.943931 0.421203 0.333976 N\n0.578797 0.056069 0.166024 N\n","nsites":196,"nelements":5,"elements":["Li","Si","H","C","N"],"chemical_system":"C-H-Li-N-Si","density":0.8995711766370925,"density_atomic":0.0871726486639233,"volume":2248.4116635670757,"volume_molar":6.908291594095251,"formula_full":"Li8 Si12 H120 C40 N16","formula_reduced":"Li2Si3H30(C5N2)2","formula_anonymous":"A2B3C4D10E30","energy":-1049.40644863,"energy_per_atom":-5.3541145338265315,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1043.63044863,"band_gap":3.0675,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0136255,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.576000Z","spacegroup":15},{"id":"mp-849388","created_at":"2022-09-04T14:39:05.862665Z","structure_string":"V4 O6 F2\n1.0\n3.000147 4.687627 0.000000\n-3.000147 4.687627 0.000000\n0.000000 0.149985 4.683686\nV O F\n4 6 2\ndirect\n0.000000 0.000000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.154831 0.154831 0.805187 O\n0.151676 0.656947 0.693346 O\n0.656947 0.151676 0.693346 O\n0.848324 0.343053 0.306654 O\n0.343053 0.848324 0.306654 O\n0.845169 0.845169 0.194813 O\n0.649197 0.649197 0.795631 F\n0.350803 0.350803 0.204369 F\n","nsites":12,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":4.257385178710272,"density_atomic":0.09108941164752037,"volume":131.73869259838023,"volume_molar":6.611241253048465,"formula_full":"V4 O6 F2","formula_reduced":"V2O3F","formula_anonymous":"AB2C3","energy":-100.71690666,"energy_per_atom":-8.393075555000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.87090666,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.257000Z","spacegroup":12},{"id":"mp-11037","created_at":"2022-09-04T14:39:05.868820Z","structure_string":"Lu1 Al8 Fe4\n1.0\n-4.326901 4.326901 2.506573\n4.326901 -4.326901 2.506573\n4.326901 4.326901 -2.506573\nLu Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.339167 0.339167 Al\n0.280644 0.500000 0.780644 Al\n0.500000 0.280644 0.780644 Al\n0.500000 0.719356 0.219356 Al\n0.719356 0.500000 0.219356 Al\n0.000000 0.660833 0.660833 Al\n0.339167 0.000000 0.339167 Al\n0.660833 0.000000 0.660833 Al\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n","nsites":13,"nelements":3,"elements":["Lu","Al","Fe"],"chemical_system":"Al-Fe-Lu","density":5.4333058765601825,"density_atomic":0.0692546735567319,"volume":187.71296336196988,"volume_molar":8.695645291096195,"formula_full":"Lu1 Al8 Fe4","formula_reduced":"Lu(Al2Fe)4","formula_anonymous":"AB4C8","energy":-73.92825289,"energy_per_atom":-5.686788683846154,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.92825289,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.252657,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.743000Z","spacegroup":139},{"id":"mp-1102138","created_at":"2022-09-04T14:39:05.870649Z","structure_string":"Ti4 Co4 P4\n1.0\n3.548158 0.000000 0.000000\n0.000000 6.038015 0.000000\n0.000000 0.000000 6.842224\nTi Co P\n4 4 4\ndirect\n0.250000 0.975513 0.322286 Ti\n0.250000 0.475513 0.177714 Ti\n0.750000 0.024487 0.677714 Ti\n0.750000 0.524487 0.822286 Ti\n0.250000 0.859667 0.938464 Co\n0.250000 0.359667 0.561536 Co\n0.750000 0.140333 0.061536 Co\n0.750000 0.640333 0.438464 Co\n0.250000 0.232251 0.877525 P\n0.250000 0.732251 0.622475 P\n0.750000 0.767749 0.122475 P\n0.750000 0.267749 0.377525 P\n","nsites":12,"nelements":3,"elements":["Ti","Co","P"],"chemical_system":"Co-P-Ti","density":6.2428341064387265,"density_atomic":0.08186284235843268,"volume":146.58665218901822,"volume_molar":7.356378775161916,"formula_full":"Ti4 Co4 P4","formula_reduced":"TiCoP","formula_anonymous":"ABC","energy":-95.42709408,"energy_per_atom":-7.952257840000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.42709408,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018246,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.437000Z","spacegroup":62},{"id":"mp-1235587","created_at":"2022-09-04T14:39:05.873188Z","structure_string":"Li1 Ni9 O13\n1.0\n2.886867 0.000889 -0.001081\n-1.441911 4.833939 -0.772411\n-0.005717 -0.076353 16.109197\nLi Ni O\n1 9 13\ndirect\n0.792037 0.586247 0.770680 Li\n0.498983 0.997412 0.497197 Ni\n0.647131 0.295508 0.049229 Ni\n0.353445 0.707554 0.961489 Ni\n0.747706 0.494674 0.411257 Ni\n0.252306 0.504222 0.579849 Ni\n0.937946 0.875595 0.125759 Ni\n0.066009 0.133257 0.876221 Ni\n0.993761 0.986707 0.332335 Ni\n0.011050 0.022705 0.666683 Ni\n0.997096 0.994595 0.013393 O\n0.876290 0.751250 0.227098 O\n0.137614 0.274835 0.771578 O\n0.297456 0.598140 0.076242 O\n0.701286 0.403615 0.933181 O\n0.566274 0.131568 0.153087 O\n0.427434 0.855894 0.857540 O\n0.609837 0.220226 0.308631 O\n0.384550 0.768983 0.685524 O\n0.383989 0.766829 0.381360 O\n0.617699 0.235531 0.611205 O\n0.125206 0.249887 0.455666 O\n0.866565 0.732263 0.529797 O\n","nsites":23,"nelements":3,"elements":["Li","Ni","O"],"chemical_system":"Li-Ni-O","density":5.493220754421107,"density_atomic":0.10238006483370585,"volume":224.65311032336714,"volume_molar":5.8821419675614175,"formula_full":"Li1 Ni9 O13","formula_reduced":"LiNi9O13","formula_anonymous":"AB9C13","energy":-140.56199069000002,"energy_per_atom":-6.111390899565218,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-108.76199069,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.6572824,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.218000Z","spacegroup":8},{"id":"mp-23883","created_at":"2022-09-04T14:39:05.877594Z","structure_string":"Be16 B8 H8 O32\n1.0\n4.458601 0.000000 0.000000\n0.000000 9.891237 0.000000\n0.000000 0.000000 12.232268\nBe B H O\n16 8 8 32\ndirect\n0.275997 0.237635 0.068348 Be\n0.775997 0.262365 0.931652 Be\n0.724003 0.737635 0.431652 Be\n0.759453 0.002841 0.311003 Be\n0.724003 0.762365 0.931652 Be\n0.224003 0.737635 0.068348 Be\n0.275997 0.262365 0.568348 Be\n0.775997 0.237635 0.431652 Be\n0.259453 0.497159 0.688997 Be\n0.240547 0.502841 0.188997 Be\n0.740547 0.997159 0.811003 Be\n0.240547 0.997159 0.688997 Be\n0.740547 0.502841 0.311003 Be\n0.759453 0.497159 0.811003 Be\n0.224003 0.762365 0.568348 Be\n0.259453 0.002841 0.188997 Be\n0.272220 0.107336 0.392589 B\n0.772220 0.107336 0.107411 B\n0.272220 0.392664 0.892589 B\n0.227780 0.607336 0.392589 B\n0.727780 0.892664 0.607411 B\n0.227780 0.892664 0.892589 B\n0.727780 0.607336 0.107411 B\n0.772220 0.392664 0.607411 B\n0.961805 0.316831 0.276544 H\n0.961805 0.183169 0.776544 H\n0.538195 0.816831 0.276544 H\n0.038195 0.683169 0.723456 H\n0.538195 0.683169 0.776544 H\n0.038195 0.816831 0.223456 H\n0.461805 0.183169 0.723456 H\n0.461805 0.316831 0.223456 H\n0.617540 0.037661 0.187447 O\n0.581388 0.397865 0.896247 O\n0.918612 0.602135 0.396247 O\n0.418612 0.897865 0.603753 O\n0.918612 0.897865 0.896247 O\n0.418612 0.602135 0.103753 O\n0.081388 0.397865 0.603753 O\n0.581388 0.102135 0.396247 O\n0.616581 0.188338 0.035084 O\n0.116581 0.311662 0.964916 O\n0.383419 0.688338 0.464916 O\n0.883419 0.811662 0.535084 O\n0.081388 0.102135 0.103753 O\n0.883419 0.688338 0.035084 O\n0.616581 0.311662 0.535084 O\n0.116581 0.188338 0.464916 O\n0.383419 0.811662 0.964916 O\n0.793483 0.159841 0.825403 O\n0.706517 0.840159 0.325403 O\n0.206517 0.659841 0.674597 O\n0.706517 0.659841 0.825403 O\n0.206517 0.840159 0.174597 O\n0.293483 0.159841 0.674597 O\n0.793483 0.340159 0.325403 O\n0.117540 0.037661 0.312553 O\n0.617540 0.462339 0.687447 O\n0.882460 0.537661 0.187447 O\n0.382460 0.962339 0.812553 O\n0.882460 0.962339 0.687447 O\n0.382460 0.537661 0.312553 O\n0.117540 0.462339 0.812553 O\n0.293483 0.340159 0.174597 O\n","nsites":64,"nelements":4,"elements":["Be","B","H","O"],"chemical_system":"B-Be-H-O","density":2.3108675955073466,"density_atomic":0.11863798705670768,"volume":539.4562196120935,"volume_molar":5.076064513064843,"formula_full":"Be16 B8 H8 O32","formula_reduced":"Be2BHO4","formula_anonymous":"ABC2D4","energy":-472.83924539,"energy_per_atom":-7.38811320921875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-450.85524539,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.945000Z","spacegroup":61},{"id":"mp-1110713","created_at":"2022-09-04T14:39:05.880731Z","structure_string":"Rb2 Li1 Bi1 Br6\n1.0\n0.000000 5.617950 5.617950\n5.617950 0.000000 5.617950\n5.617950 5.617950 0.000000\nRb Li Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.744881 0.255119 0.255119 Br\n0.255119 0.255119 0.744881 Br\n0.255119 0.744881 0.744881 Br\n0.255119 0.744881 0.255119 Br\n0.744881 0.255119 0.744881 Br\n0.744881 0.744881 0.255119 Br\n","nsites":10,"nelements":4,"elements":["Rb","Li","Bi","Br"],"chemical_system":"Bi-Br-Li-Rb","density":4.056432765774867,"density_atomic":0.028199174525834342,"volume":354.6203095710698,"volume_molar":21.355734205917578,"formula_full":"Rb2 Li1 Bi1 Br6","formula_reduced":"Rb2LiBiBr6","formula_anonymous":"ABC2D6","energy":-34.03387211,"energy_per_atom":-3.4033872109999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.82987211,"band_gap":2.9149,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003212,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.581000Z","spacegroup":225},{"id":"mp-776407","created_at":"2022-09-04T14:39:05.882187Z","structure_string":"La4 Ta8 N4 O20\n1.0\n11.316426 0.000000 0.000000\n0.000000 5.533268 0.000000\n0.000000 0.015813 7.729749\nLa Ta N O\n4 8 4 20\ndirect\n0.035925 0.797353 0.500297 La\n0.455923 0.295587 0.998371 La\n0.535925 0.202647 0.499703 La\n0.955923 0.704413 0.001629 La\n0.149405 0.288281 0.756184 Ta\n0.142034 0.293937 0.247367 Ta\n0.353404 0.797181 0.752509 Ta\n0.359515 0.781770 0.246453 Ta\n0.642034 0.706063 0.752633 Ta\n0.649405 0.711719 0.243816 Ta\n0.853404 0.202819 0.247491 Ta\n0.859514 0.218230 0.753547 Ta\n0.291107 0.123314 0.803791 N\n0.356067 0.700661 0.000619 N\n0.791107 0.876686 0.196209 N\n0.856067 0.299339 0.999381 N\n0.023926 0.025837 0.783230 O\n0.026867 0.023080 0.216179 O\n0.122345 0.399749 0.001236 O\n0.142299 0.205000 0.499157 O\n0.211451 0.617100 0.308904 O\n0.209316 0.619415 0.691171 O\n0.286767 0.119618 0.198874 O\n0.379911 0.898784 0.499390 O\n0.472564 0.512451 0.287927 O\n0.481174 0.521302 0.713154 O\n0.526867 0.976920 0.783821 O\n0.523926 0.974163 0.216770 O\n0.622345 0.600251 0.998764 O\n0.642299 0.795000 0.500843 O\n0.709316 0.380585 0.308829 O\n0.711451 0.382900 0.691096 O\n0.786767 0.880382 0.801126 O\n0.879911 0.101216 0.500610 O\n0.981174 0.478698 0.286846 O\n0.972564 0.487549 0.712073 O\n","nsites":36,"nelements":4,"elements":["La","Ta","N","O"],"chemical_system":"La-N-O-Ta","density":8.162576474983323,"density_atomic":0.07437827736606246,"volume":484.0122852378157,"volume_molar":8.0966391979761,"formula_full":"La4 Ta8 N4 O20","formula_reduced":"LaTa2NO5","formula_anonymous":"ABC2D5","energy":-362.3386383400001,"energy_per_atom":-10.064962176111115,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-347.15463834,"band_gap":2.0828999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000223,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.535000Z","spacegroup":4},{"id":"mp-23716","created_at":"2022-09-04T14:39:05.883125Z","structure_string":"Ca4 Mn2 As4 H8 O20\n1.0\n13.167344 0.000000 0.000000\n0.000000 5.791706 0.000000\n0.000000 1.852983 5.658882\nCa Mn As H O\n4 2 4 8 20\ndirect\n0.880003 0.758395 0.568744 Ca\n0.380003 0.741605 0.431256 Ca\n0.119997 0.241605 0.431256 Ca\n0.619997 0.258395 0.568744 Ca\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.877852 0.428746 0.223936 As\n0.377852 0.071254 0.776064 As\n0.122148 0.571254 0.776064 As\n0.622148 0.928746 0.223936 As\n0.710422 0.498585 0.893928 H\n0.210422 0.001415 0.106072 H\n0.289578 0.501415 0.106072 H\n0.789578 0.998585 0.893928 H\n0.655921 0.694922 0.683819 H\n0.155921 0.805078 0.316181 H\n0.344079 0.305078 0.316181 H\n0.844079 0.194922 0.683819 H\n0.643100 0.531659 0.803721 O\n0.143100 0.968341 0.196279 O\n0.961881 0.651260 0.247290 O\n0.461881 0.848740 0.752710 O\n0.038119 0.348740 0.752710 O\n0.538119 0.151260 0.247290 O\n0.945739 0.158248 0.288269 O\n0.445739 0.341752 0.711731 O\n0.054261 0.841752 0.711731 O\n0.554261 0.658248 0.288269 O\n0.825242 0.502098 0.949804 O\n0.325242 0.997902 0.050196 O\n0.174758 0.497902 0.050196 O\n0.674758 0.002098 0.949804 O\n0.793426 0.417376 0.450186 O\n0.293426 0.082624 0.549814 O\n0.206574 0.582624 0.549814 O\n0.706574 0.917376 0.450186 O\n0.856900 0.031659 0.803721 O\n0.356900 0.468341 0.196279 O\n","nsites":38,"nelements":5,"elements":["Ca","Mn","As","H","O"],"chemical_system":"As-Ca-H-Mn-O","density":3.4550498793785867,"density_atomic":0.08805383364692952,"volume":431.55418027986195,"volume_molar":6.839157945294065,"formula_full":"Ca4 Mn2 As4 H8 O20","formula_reduced":"Ca2MnAs2(H2O5)2","formula_anonymous":"AB2C2D4E10","energy":-250.86050088,"energy_per_atom":-6.601592128421053,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-233.78450088,"band_gap":2.2674,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0029854,"is_theoretical":false,"updated_at":"2021-11-28T01:34:43.786000Z","spacegroup":14},{"id":"mp-755387","created_at":"2022-09-04T14:39:05.883816Z","structure_string":"Li8 Cr6 Co2 O16\n1.0\n-2.937919 5.112844 -0.004996\n4.448056 5.983383 4.847608\n4.426569 -0.835243 -4.852473\nLi Cr Co O\n8 6 2 16\ndirect\n0.006869 0.498982 0.491567 Li\n0.498126 0.001358 0.998103 Li\n0.493151 0.500976 0.508409 Li\n0.001908 0.998612 0.001873 Li\n0.746070 0.750087 0.750573 Li\n0.247400 0.252057 0.250332 Li\n0.753955 0.249879 0.249428 Li\n0.252679 0.747907 0.749671 Li\n0.250109 0.499981 0.000108 Cr\n0.750225 0.000066 0.500250 Cr\n0.497253 0.251195 0.749478 Cr\n0.002803 0.748706 0.250548 Cr\n0.998235 0.250227 0.750603 Cr\n0.501441 0.749781 0.249153 Cr\n0.249965 0.999995 0.499958 Co\n0.749999 0.500009 0.999987 Co\n0.360374 0.258472 0.983716 O\n0.862579 0.758569 0.483805 O\n0.139625 0.741556 0.016293 O\n0.637433 0.241431 0.516227 O\n0.858121 0.258679 0.983631 O\n0.366221 0.754407 0.483170 O\n0.641789 0.741331 0.016318 O\n0.133673 0.245616 0.516778 O\n0.376674 0.490880 0.759119 O\n0.889215 0.991574 0.265717 O\n0.881952 0.492424 0.775849 O\n0.387662 0.991215 0.264039 O\n0.123322 0.509142 0.240873 O\n0.610781 0.008469 0.734305 O\n0.618078 0.507592 0.224160 O\n0.112318 0.008821 0.735962 O\n","nsites":32,"nelements":4,"elements":["Li","Cr","Co","O"],"chemical_system":"Co-Cr-Li-O","density":4.192633971816751,"density_atomic":0.10898277588332993,"volume":293.6243800053063,"volume_molar":5.525772959249013,"formula_full":"Li8 Cr6 Co2 O16","formula_reduced":"Li4Cr3CoO8","formula_anonymous":"AB3C4D8","energy":-237.64867983,"energy_per_atom":-7.4265212446875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-211.38667983,"band_gap":0.5846999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":17.9996271,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.576000Z","spacegroup":12}]}