{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=40","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=38","results":[{"id":"mp-1223039","created_at":"2022-09-04T14:46:21.664258Z","structure_string":"K2 Ta2 W2 O12\n1.0\n-3.723059 3.751812 5.275361\n3.723059 -3.751812 5.275361\n3.723059 3.751812 -5.275361\nK Ta W O\n2 2 2 12\ndirect\n0.017577 0.049430 0.531854 K\n0.982423 0.514277 0.031854 K\n0.500000 0.998460 0.498460 Ta\n0.000000 0.998460 0.998460 Ta\n0.499677 0.497306 0.497629 W\n0.500323 0.997952 0.997629 W\n0.186297 0.938020 0.251723 O\n0.556516 0.306491 0.249975 O\n0.194605 0.942123 0.880400 O\n0.559786 0.313455 0.618573 O\n0.194882 0.313455 0.253668 O\n0.561723 0.942123 0.247518 O\n0.813703 0.065426 0.751723 O\n0.443484 0.693458 0.749975 O\n0.805118 0.058787 0.118573 O\n0.438277 0.685796 0.380400 O\n0.805395 0.685796 0.747518 O\n0.440214 0.058787 0.753668 O\n","nsites":18,"nelements":4,"elements":["K","Ta","W","O"],"chemical_system":"K-O-Ta-W","density":5.6324057522137965,"density_atomic":0.06106879387973113,"volume":294.74955794033195,"volume_molar":9.861240704802526,"formula_full":"K2 Ta2 W2 O12","formula_reduced":"KTaWO6","formula_anonymous":"ABCD6","energy":-160.27041719,"energy_per_atom":-8.903912066111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-143.15041719,"band_gap":3.2588,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001319,"is_theoretical":true,"updated_at":"2021-11-28T01:37:30.756000Z","spacegroup":46},{"id":"mp-675953","created_at":"2022-09-04T14:46:21.697137Z","structure_string":"Tl4 Se2 O8\n1.0\n5.436621 3.356284 0.000000\n-5.436621 3.356284 0.000000\n0.000000 0.057037 8.147137\nTl Se O\n4 2 8\ndirect\n0.331582 0.663465 0.259170 Tl\n0.000077 0.000079 0.003833 Tl\n0.663465 0.331582 0.759170 Tl\n0.000079 0.000077 0.503833 Tl\n0.344514 0.656314 0.757321 Se\n0.656314 0.344514 0.257321 Se\n0.639809 0.763384 0.760438 O\n0.251362 0.733956 0.927378 O\n0.264271 0.757954 0.591778 O\n0.232316 0.360929 0.747982 O\n0.757954 0.264271 0.091778 O\n0.763384 0.639809 0.260438 O\n0.733956 0.251362 0.427378 O\n0.360929 0.232316 0.247982 O\n","nsites":14,"nelements":3,"elements":["Tl","Se","O"],"chemical_system":"O-Se-Tl","density":6.162803929602606,"density_atomic":0.04708745950824978,"volume":297.31907701555195,"volume_molar":12.789266660149533,"formula_full":"Tl4 Se2 O8","formula_reduced":"Tl2SeO4","formula_anonymous":"AB2C4","energy":-73.17768264,"energy_per_atom":-5.2269773314285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-67.68168264,"band_gap":2.4472,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005156,"is_theoretical":true,"updated_at":"2021-11-28T01:37:29.266000Z","spacegroup":15},{"id":"mp-1033028","created_at":"2022-09-04T14:46:21.496392Z","structure_string":"Sr1 Mg6 Al1 O8\n1.0\n8.580253 0.000000 0.000000\n-0.000000 4.579694 0.000000\n0.000000 0.000000 4.579694\nSr Mg Al O\n1 6 1 8\ndirect\n0.500000 0.000000 0.000000 Sr\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.240803 -0.000000 0.500000 Mg\n0.759197 0.000000 0.500000 Mg\n0.240803 0.500000 -0.000000 Mg\n0.759197 0.500000 0.000000 Mg\n-0.000000 0.000000 0.000000 Al\n0.214113 0.000000 0.000000 O\n0.785887 -0.000000 -0.000000 O\n0.250369 0.500000 0.500000 O\n0.749631 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":16,"nelements":4,"elements":["Sr","Mg","Al","O"],"chemical_system":"Al-Mg-O-Sr","density":3.5841419394952174,"density_atomic":0.08890925418250757,"volume":179.95876972667168,"volume_molar":6.773356514315272,"formula_full":"Sr1 Mg6 Al1 O8","formula_reduced":"SrMg6AlO8","formula_anonymous":"ABC6D8","energy":-98.51882436,"energy_per_atom":-6.1574265225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.02282436,"band_gap":1.3788999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":9.5e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:37:30.241000Z","spacegroup":123},{"id":"mp-505113","created_at":"2022-09-04T14:46:21.497678Z","structure_string":"Ti2 Sn12 F32\n1.0\n3.906579 9.431307 0.000000\n-3.906579 9.431307 0.000000\n0.000000 0.191136 11.100026\nTi Sn F\n2 12 32\ndirect\n0.330644 0.669356 0.750000 Ti\n0.669356 0.330644 0.250000 Ti\n0.100797 0.752459 0.396055 Sn\n0.540251 0.754448 0.470083 Sn\n0.899203 0.247541 0.603945 Sn\n0.459749 0.245552 0.529917 Sn\n0.709964 0.877939 0.180734 Sn\n0.752459 0.100797 0.896055 Sn\n0.247541 0.899203 0.103945 Sn\n0.122061 0.290036 0.319266 Sn\n0.290036 0.122061 0.819266 Sn\n0.877939 0.709964 0.680734 Sn\n0.754448 0.540251 0.970083 Sn\n0.245552 0.459749 0.029917 Sn\n0.393985 0.134964 0.406018 F\n0.185996 0.497512 0.458811 F\n0.865036 0.606015 0.093982 F\n0.988095 0.708936 0.253113 F\n0.134964 0.393985 0.906018 F\n0.502488 0.814004 0.041189 F\n0.437276 0.429580 0.790289 F\n0.291064 0.011905 0.246887 F\n0.366064 0.701049 0.911108 F\n0.633936 0.298951 0.088892 F\n0.701049 0.366064 0.411108 F\n0.289240 0.272087 0.659735 F\n0.814004 0.502488 0.541189 F\n0.708936 0.988095 0.753113 F\n0.093134 0.771660 0.792923 F\n0.011905 0.291064 0.746887 F\n0.710760 0.727913 0.340265 F\n0.771660 0.093134 0.292923 F\n0.228340 0.906866 0.707077 F\n0.497512 0.185996 0.958811 F\n0.727913 0.710760 0.840265 F\n0.138083 0.121209 0.983919 F\n0.298951 0.633936 0.588892 F\n0.121209 0.138083 0.483919 F\n0.878791 0.861917 0.516081 F\n0.570420 0.562724 0.709711 F\n0.906866 0.228340 0.207077 F\n0.429580 0.437276 0.290289 F\n0.562724 0.570420 0.209711 F\n0.272087 0.289240 0.159735 F\n0.606015 0.865036 0.593982 F\n0.861917 0.878791 0.016081 F\n","nsites":46,"nelements":3,"elements":["Ti","Sn","F"],"chemical_system":"F-Sn-Ti","density":4.320556052930853,"density_atomic":0.05623870956223146,"volume":817.9419541819017,"volume_molar":10.708177351288876,"formula_full":"Ti2 Sn12 F32","formula_reduced":"TiSn6F16","formula_anonymous":"AB6C16","energy":-255.57326525,"energy_per_atom":-5.555940548913044,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-240.78926525,"band_gap":2.5774,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:37:28.611000Z","spacegroup":15},{"id":"mp-861950","created_at":"2022-09-04T14:46:21.505884Z","structure_string":"Ca2 Sb1 Au1\n1.0\n0.000000 3.762595 3.762595\n3.762595 0.000000 3.762595\n3.762595 3.762595 0.000000\nCa Sb Au\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Ca","Sb","Au"],"chemical_system":"Au-Ca-Sb","density":6.217298772771227,"density_atomic":0.03754633697171415,"volume":106.5350263865536,"volume_molar":16.0392231192535,"formula_full":"Ca2 Sb1 Au1","formula_reduced":"Ca2SbAu","formula_anonymous":"ABC2","energy":-15.26664147,"energy_per_atom":-3.8166603675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.07464147,"band_gap":0.1936,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0005364,"is_theoretical":true,"updated_at":"2021-11-28T01:37:27.817000Z","spacegroup":225},{"id":"mp-540991","created_at":"2022-09-04T14:46:21.508274Z","structure_string":"Ba2 Ni18 As10\n1.0\n3.380171 -5.854628 0.000000\n3.380171 5.854628 0.000000\n0.000000 0.000000 11.317746\nBa Ni As\n2 18 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.535618 0.464382 0.106532 Ni\n0.071236 0.535618 0.606532 Ni\n0.464382 0.928764 0.606532 Ni\n0.535618 0.071236 0.106532 Ni\n0.928764 0.464382 0.106532 Ni\n0.071236 0.535618 0.893468 Ni\n0.464382 0.928764 0.893468 Ni\n0.464382 0.535618 0.606532 Ni\n0.464382 0.535618 0.893468 Ni\n0.535618 0.464382 0.393468 Ni\n0.928764 0.464382 0.393468 Ni\n0.535618 0.071236 0.393468 Ni\n0.208910 0.791090 0.250000 Ni\n0.417820 0.208910 0.750000 Ni\n0.791090 0.582180 0.750000 Ni\n0.208910 0.417820 0.250000 Ni\n0.582180 0.791090 0.250000 Ni\n0.791090 0.208910 0.750000 Ni\n0.827151 0.172849 0.250000 As\n0.654301 0.827151 0.750000 As\n0.172849 0.345699 0.750000 As\n0.827151 0.654301 0.250000 As\n0.345699 0.172849 0.250000 As\n0.172849 0.827151 0.750000 As\n0.333333 0.666667 0.060940 As\n0.666667 0.333333 0.560940 As\n0.666667 0.333333 0.939060 As\n0.333333 0.666667 0.439060 As\n","nsites":30,"nelements":3,"elements":["Ba","Ni","As"],"chemical_system":"As-Ba-Ni","density":7.711836965666212,"density_atomic":0.06697201089142424,"volume":447.94832349645776,"volume_molar":8.992026191005612,"formula_full":"Ba2 Ni18 As10","formula_reduced":"BaNi9As5","formula_anonymous":"AB5C9","energy":-168.33561486,"energy_per_atom":-5.611187161999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-168.33561486,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0238137,"is_theoretical":false,"updated_at":"2021-11-28T01:37:32.897000Z","spacegroup":194},{"id":"mp-13033","created_at":"2022-09-04T14:46:21.510091Z","structure_string":"Mg1 Te1\n1.0\n0.000000 3.256306 3.256306\n3.256306 0.000000 3.256306\n3.256306 3.256306 0.000000\nMg Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.750000 0.750000 0.750000 Te\n","nsites":2,"nelements":2,"elements":["Mg","Te"],"chemical_system":"Mg-Te","density":3.6527129345832137,"density_atomic":0.02896172141211221,"volume":69.0566686814262,"volume_molar":20.793448960811606,"formula_full":"Mg1 Te1","formula_reduced":"MgTe","formula_anonymous":"AB","energy":-6.915304669999999,"energy_per_atom":-3.4576523349999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.49330467,"band_gap":2.3638000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002288,"is_theoretical":true,"updated_at":"2021-11-28T01:37:30.104000Z","spacegroup":216},{"id":"mp-1106267","created_at":"2022-09-04T14:46:21.513350Z","structure_string":"Y1 Ni12 B6\n1.0\n4.745992 2.740099 2.465285\n-4.745992 2.740099 2.465285\n0.000000 -5.480200 2.465285\nY Ni B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Y\n0.869046 0.130954 0.500000 Ni\n0.130954 0.500000 0.869046 Ni\n0.500000 0.869046 0.130954 Ni\n0.869046 0.500000 0.130954 Ni\n0.500000 0.130954 0.869046 Ni\n0.130954 0.869046 0.500000 Ni\n0.812546 0.546450 0.546450 Ni\n0.546450 0.546450 0.812546 Ni\n0.546450 0.812546 0.546450 Ni\n0.187454 0.453550 0.453550 Ni\n0.453550 0.453550 0.187454 Ni\n0.453550 0.187454 0.453550 Ni\n0.334461 0.766136 0.766136 B\n0.766136 0.766136 0.334461 B\n0.766136 0.334461 0.766136 B\n0.665539 0.233864 0.233864 B\n0.233864 0.233864 0.665539 B\n0.233864 0.665539 0.233864 B\n","nsites":19,"nelements":3,"elements":["Y","Ni","B"],"chemical_system":"B-Ni-Y","density":7.407497851279375,"density_atomic":0.09877382125917747,"volume":192.35866100740367,"volume_molar":6.09689964732478,"formula_full":"Y1 Ni12 B6","formula_reduced":"Y(Ni2B)6","formula_anonymous":"AB6C12","energy":-123.30726079,"energy_per_atom":-6.4898558310526315,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-123.30726079,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0034517,"is_theoretical":false,"updated_at":"2021-11-28T01:37:30.307000Z","spacegroup":166},{"id":"mp-1232277","created_at":"2022-09-04T14:46:21.522594Z","structure_string":"Sm6 Mg6 S18\n1.0\n6.855687 0.000000 0.000000\n-3.427843 5.937199 0.000000\n0.000000 0.000000 17.754389\nSm Mg S\n6 6 18\ndirect\n0.000000 0.000000 0.354992 Sm\n0.000000 0.000000 0.645008 Sm\n0.666667 0.333333 0.688325 Sm\n0.666667 0.333333 0.978341 Sm\n0.333333 0.666667 0.021659 Sm\n0.333333 0.666667 0.311675 Sm\n0.000000 0.000000 0.153479 Mg\n0.000000 0.000000 0.846521 Mg\n0.666667 0.333333 0.486812 Mg\n0.666667 0.333333 0.179854 Mg\n0.333333 0.666667 0.820146 Mg\n0.333333 0.666667 0.513188 Mg\n0.983942 0.360558 0.581358 S\n0.016058 0.639442 0.418642 S\n0.639442 0.623384 0.581358 S\n0.360558 0.376616 0.418642 S\n0.376616 0.016058 0.581358 S\n0.623384 0.983942 0.418642 S\n0.650609 0.693891 0.914691 S\n0.682725 0.972775 0.751975 S\n0.306109 0.956717 0.914691 S\n0.027225 0.709949 0.751975 S\n0.043283 0.349391 0.914691 S\n0.290051 0.317275 0.751975 S\n0.317275 0.027225 0.248025 S\n0.349391 0.306109 0.085309 S\n0.972775 0.290051 0.248025 S\n0.693891 0.043283 0.085309 S\n0.709949 0.682725 0.248025 S\n0.956717 0.650609 0.085309 S\n","nsites":30,"nelements":3,"elements":["Sm","Mg","S"],"chemical_system":"Mg-S-Sm","density":3.7342802165657254,"density_atomic":0.04151288693275784,"volume":722.6671575165008,"volume_molar":14.506677817311532,"formula_full":"Sm6 Mg6 S18","formula_reduced":"SmMgS3","formula_anonymous":"ABC3","energy":-160.63475761,"energy_per_atom":-5.354491920333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-151.58075761,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.0884582,"is_theoretical":true,"updated_at":"2021-11-28T01:37:29.295000Z","spacegroup":148},{"id":"mp-4049","created_at":"2022-09-04T14:46:21.560709Z","structure_string":"U4 P4 O18\n1.0\n3.567043 -4.536220 0.000000\n3.567043 4.536220 0.000000\n0.000000 0.000000 12.772707\nU P O\n4 4 18\ndirect\n0.208611 0.791389 0.430941 U\n0.291389 0.708611 0.930941 U\n0.791389 0.208611 0.569059 U\n0.708611 0.291389 0.069059 U\n0.109265 0.890735 0.143653 P\n0.390735 0.609265 0.643653 P\n0.890735 0.109265 0.856347 P\n0.609265 0.390735 0.356347 P\n0.941497 0.058503 0.123703 O\n0.558503 0.441497 0.623703 O\n0.058503 0.941497 0.876297 O\n0.441497 0.558503 0.376297 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.639753 0.360247 0.239045 O\n0.860247 0.139753 0.739045 O\n0.853700 0.485806 0.413506 O\n0.646300 0.014194 0.913506 O\n0.485806 0.853700 0.586494 O\n0.014194 0.646300 0.086494 O\n0.146300 0.514194 0.586494 O\n0.353700 0.985806 0.086494 O\n0.514194 0.146300 0.413506 O\n0.985806 0.353700 0.913506 O\n0.139753 0.860247 0.260955 O\n0.360247 0.639753 0.760955 O\n","nsites":26,"nelements":3,"elements":["U","P","O"],"chemical_system":"O-P-U","density":5.479589602665176,"density_atomic":0.06290105777104231,"volume":413.34757985531985,"volume_molar":9.573989648823371,"formula_full":"U4 P4 O18","formula_reduced":"U2P2O9","formula_anonymous":"A2B2C9","energy":-240.04584622000004,"energy_per_atom":-9.232532546923078,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-227.67984622,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0000554,"is_theoretical":false,"updated_at":"2021-11-28T01:37:26.841000Z","spacegroup":64},{"id":"mp-26201","created_at":"2022-09-04T14:46:21.499790Z","structure_string":"Li6 Co6 P8 O32\n1.0\n4.939616 0.000000 0.000000\n0.000000 8.072630 0.000000\n0.000000 5.545974 14.197097\nLi Co P O\n6 6 8 32\ndirect\n0.484482 0.701061 0.122169 Li\n0.015518 0.701061 0.622169 Li\n0.500000 0.000000 0.500000 Li\n0.515518 0.298939 0.877831 Li\n0.984482 0.298939 0.377831 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Co\n0.568383 0.817230 0.704915 Co\n0.931617 0.817230 0.204915 Co\n0.068383 0.182770 0.795085 Co\n0.431617 0.182770 0.295085 Co\n0.500000 0.500000 0.000000 Co\n0.510467 0.526749 0.355551 P\n0.980360 0.914632 0.393458 P\n0.480360 0.085368 0.106542 P\n0.519640 0.914632 0.893458 P\n0.489533 0.473251 0.644449 P\n0.019640 0.085368 0.606542 P\n0.989533 0.526749 0.855551 P\n0.010467 0.473251 0.144449 P\n0.190968 0.017389 0.107319 O\n0.180619 0.438655 0.069623 O\n0.318722 0.061507 0.899258 O\n0.319381 0.438655 0.569623 O\n0.450264 0.747931 0.980646 O\n0.690968 0.982611 0.392681 O\n0.950264 0.252069 0.519354 O\n0.542792 0.115245 0.199778 O\n0.809032 0.982611 0.892681 O\n0.457208 0.884755 0.800222 O\n0.796058 0.480623 0.620746 O\n0.181278 0.061507 0.399258 O\n0.582430 0.671476 0.258404 O\n0.203942 0.519377 0.379254 O\n0.549736 0.252069 0.019354 O\n0.084990 0.660503 0.150620 O\n0.584990 0.339497 0.349380 O\n0.915010 0.339497 0.849380 O\n0.296058 0.519377 0.879254 O\n0.082430 0.328524 0.241596 O\n0.417570 0.328524 0.741596 O\n0.819381 0.561345 0.930377 O\n0.415010 0.660503 0.650620 O\n0.309032 0.017389 0.607319 O\n0.042792 0.884755 0.300222 O\n0.049736 0.747931 0.480646 O\n0.917570 0.671476 0.758404 O\n0.703942 0.480623 0.120746 O\n0.681278 0.938493 0.100742 O\n0.818722 0.938493 0.600742 O\n0.957208 0.115245 0.699778 O\n0.680619 0.561345 0.430377 O\n","nsites":52,"nelements":4,"elements":["Li","Co","P","O"],"chemical_system":"Co-Li-O-P","density":3.3878902798512405,"density_atomic":0.09185346794050829,"volume":566.1190716683598,"volume_molar":6.556247570206519,"formula_full":"Li6 Co6 P8 O32","formula_reduced":"Li3Co3(PO4)4","formula_anonymous":"A3B3C4D16","energy":-373.26009671,"energy_per_atom":-7.178078782884616,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-341.44809671,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9998394,"is_theoretical":true,"updated_at":"2021-11-28T01:37:22.168000Z","spacegroup":14},{"id":"mp-1025262","created_at":"2022-09-04T14:46:20.083547Z","structure_string":"Sm2 Fe2 Si2 C1\n1.0\n1.988811 5.355727 0.000000\n-1.988811 5.355727 0.000000\n0.000000 4.346132 5.341921\nSm Fe Si C\n2 2 2 1\ndirect\n0.440462 0.440462 0.297378 Sm\n0.559538 0.559538 0.702622 Sm\n0.801901 0.801901 0.091111 Fe\n0.198099 0.198099 0.908889 Fe\n0.830368 0.830368 0.729725 Si\n0.169632 0.169632 0.270275 Si\n0.000000 0.000000 0.000000 C\n","nsites":7,"nelements":4,"elements":["Sm","Fe","Si","C"],"chemical_system":"C-Fe-Si-Sm","density":7.0127113300261765,"density_atomic":0.06151182870465955,"volume":113.7992504435126,"volume_molar":9.790215779333218,"formula_full":"Sm2 Fe2 Si2 C1","formula_reduced":"Sm2Fe2Si2C","formula_anonymous":"AB2C2D2","energy":-50.78876511,"energy_per_atom":-7.2555378728571425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.93076511,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.35e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:28.472000Z","spacegroup":12}]}