{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=10228","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=10226","results":[{"id":"mp-1176279","created_at":"2022-09-04T14:39:42.699289Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n5.058970 0.000000 0.000000\n-1.635085 4.842773 0.000000\n-0.632487 -0.591242 11.771494\nLi Mn Co O\n9 2 5 16\ndirect\n0.997323 0.500779 0.130350 Li\n0.498979 0.502926 0.257859 Li\n0.994489 0.489675 0.383816 Li\n0.500448 0.495760 0.496660 Li\n0.003965 0.502204 0.622948 Li\n0.503253 0.501143 0.748115 Li\n0.009609 0.508069 0.865051 Li\n0.492919 0.496949 0.998397 Li\n0.498692 0.005942 0.376179 Li\n0.998434 0.997492 0.998995 Mn\n0.494795 0.996812 0.130259 Mn\n0.003784 0.008598 0.253874 Co\n0.994857 0.999933 0.493242 Co\n0.506680 0.002072 0.619477 Co\n0.000451 0.999114 0.743788 Co\n0.500780 0.001437 0.871425 Co\n0.245595 0.765137 0.005659 O\n0.740227 0.772822 0.136649 O\n0.257713 0.793453 0.240324 O\n0.772722 0.759357 0.388226 O\n0.248382 0.778205 0.506728 O\n0.754966 0.759091 0.630672 O\n0.266040 0.770687 0.754109 O\n0.749438 0.774534 0.876991 O\n0.753258 0.228970 0.243977 O\n0.233066 0.241627 0.369626 O\n0.763808 0.221763 0.505280 O\n0.233819 0.223763 0.616307 O\n0.742059 0.234462 0.747584 O\n0.254144 0.227305 0.865603 O\n0.726354 0.208369 0.004963 O\n0.258950 0.231550 0.116865 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.162943079184819,"density_atomic":0.11095890858758313,"volume":288.3950500895695,"volume_molar":5.427361206645745,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-207.35708895,"energy_per_atom":-6.4799090296875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-184.83908895,"band_gap":0.3767,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":26.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.454000Z","spacegroup":1},{"id":"mp-1206771","created_at":"2022-09-04T14:39:42.728825Z","structure_string":"Pr2 Mn1 P2 O1\n1.0\n7.726121 0.000000 0.000000\n0.000000 7.726121 0.000000\n0.000000 0.000000 14.293597\nPr Mn P O\n2 1 2 1\ndirect\n0.500000 0.500000 0.655360 Pr\n0.500000 0.500000 0.344640 Pr\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.164685 P\n0.500000 0.500000 0.835315 P\n0.500000 0.500000 0.500000 O\n","nsites":6,"nelements":4,"elements":["Pr","Mn","P","O"],"chemical_system":"Mn-O-P-Pr","density":0.807084246636637,"density_atomic":0.007032127013311429,"volume":853.2269096736067,"volume_molar":85.63754250457109,"formula_full":"Pr2 Mn1 P2 O1","formula_reduced":"Pr2MnP2O","formula_anonymous":"ABC2D2","energy":-32.72696121,"energy_per_atom":-5.454493535,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.37196121,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.9146621,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.269000Z","spacegroup":123},{"id":"mp-1237058","created_at":"2022-09-04T14:39:44.143101Z","structure_string":"Rb2 U1 Cl4 O4\n1.0\n6.756527 0.000000 0.000000\n3.334520 6.148840 0.000000\n1.757722 0.752592 7.333265\nRb U Cl O\n2 1 4 4\ndirect\n0.310401 0.256553 0.246317 Rb\n0.689599 0.743447 0.753683 Rb\n0.000000 0.000000 0.000000 U\n0.982990 0.214792 0.662841 Cl\n0.017010 0.785208 0.337159 Cl\n0.781783 0.378536 0.144232 Cl\n0.218217 0.621464 0.855768 Cl\n0.271574 0.991989 0.001964 O\n0.728426 0.008011 0.998036 O\n0.514595 0.232013 0.582730 O\n0.485405 0.767987 0.417270 O\n","nsites":11,"nelements":4,"elements":["Rb","U","Cl","O"],"chemical_system":"Cl-O-Rb-U","density":3.350815988534041,"density_atomic":0.03610593508217579,"volume":304.6590532820823,"volume_molar":16.679088206118543,"formula_full":"Rb2 U1 Cl4 O4","formula_reduced":"Rb2U(ClO)4","formula_anonymous":"AB2C4D4","energy":-57.83320208000001,"energy_per_atom":-5.257563825454546,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-55.08520208,"band_gap":0.6084999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.999986,"is_theoretical":false,"updated_at":"2021-11-28T01:34:28.016000Z","spacegroup":2},{"id":"mp-20283","created_at":"2022-09-04T14:39:43.113927Z","structure_string":"Co4 P4 O14\n1.0\n-0.028665 0.006987 5.339146\n8.988032 -0.031403 -1.243867\n-0.920920 5.113332 -1.296218\nCo P O\n4 4 14\ndirect\n0.688006 0.750322 0.309905 Co\n0.311331 0.249294 0.689421 Co\n0.687420 0.251077 0.313896 Co\n0.313175 0.749704 0.686124 Co\n0.217426 0.453063 0.215947 P\n0.216729 0.953000 0.217240 P\n0.783240 0.046974 0.782924 P\n0.782652 0.546931 0.783950 P\n0.000004 0.999980 0.000075 O\n0.000027 0.500006 0.000041 O\n0.621549 0.394169 0.624038 O\n0.622828 0.894100 0.621718 O\n0.377691 0.105863 0.377918 O\n0.378119 0.605728 0.376556 O\n0.926978 0.139189 0.622149 O\n0.926663 0.639412 0.624246 O\n0.378800 0.361147 0.073175 O\n0.376476 0.860319 0.073872 O\n0.073251 0.360316 0.375406 O\n0.073086 0.861017 0.378323 O\n0.623061 0.139379 0.926111 O\n0.621490 0.639011 0.926963 O\n","nsites":22,"nelements":3,"elements":["Co","P","O"],"chemical_system":"Co-O-P","density":3.953470046314281,"density_atomic":0.08974748671092415,"volume":245.13221268091664,"volume_molar":6.710094043521533,"formula_full":"Co4 P4 O14","formula_reduced":"Co2P2O7","formula_anonymous":"A2B2C7","energy":-168.71612175,"energy_per_atom":-7.668914625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-152.54612175,"band_gap":0.9399000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0002869,"is_theoretical":false,"updated_at":"2021-11-28T01:34:23.676000Z","spacegroup":12},{"id":"mp-778258","created_at":"2022-09-04T14:39:43.122110Z","structure_string":"V5 P6 W1 O24\n1.0\n7.482085 -4.354255 0.000000\n7.482085 4.354255 0.000000\n4.948093 0.000000 7.103345\nV P W O\n5 6 1 24\ndirect\n0.002693 0.002693 0.002693 V\n0.357690 0.357690 0.357690 V\n0.500689 0.500689 0.500689 V\n0.144028 0.144028 0.144028 V\n0.642332 0.642332 0.642332 V\n0.451601 0.748339 0.045597 P\n0.748339 0.045597 0.451601 P\n0.045597 0.451601 0.748339 P\n0.956473 0.539067 0.253431 P\n0.253431 0.956473 0.539067 P\n0.539067 0.253431 0.956473 P\n0.856260 0.856260 0.856260 W\n0.684222 0.888759 0.499022 O\n0.888759 0.499022 0.684222 O\n0.499022 0.684222 0.888759 O\n0.260558 0.910554 0.060838 O\n0.612364 0.817593 0.000596 O\n0.444610 0.591658 0.239396 O\n0.910554 0.060838 0.260558 O\n0.591658 0.239396 0.444610 O\n0.995271 0.390012 0.183220 O\n0.239396 0.444610 0.591658 O\n0.935142 0.739931 0.087325 O\n0.183220 0.995271 0.390012 O\n0.817593 0.000596 0.612364 O\n0.060838 0.260558 0.910554 O\n0.759689 0.562025 0.408415 O\n0.000596 0.612364 0.817593 O\n0.408415 0.759689 0.562025 O\n0.087325 0.935142 0.739931 O\n0.562025 0.408415 0.759689 O\n0.390012 0.183220 0.995271 O\n0.739931 0.087325 0.935142 O\n0.508321 0.309720 0.112585 O\n0.112585 0.508321 0.309720 O\n0.309720 0.112585 0.508321 O\n","nsites":36,"nelements":4,"elements":["V","P","W","O"],"chemical_system":"O-P-V-W","density":3.617779187373893,"density_atomic":0.07778092433488909,"volume":462.83841838907006,"volume_molar":7.742439179652091,"formula_full":"V5 P6 W1 O24","formula_reduced":"V5P6WO24","formula_anonymous":"AB5C6D24","energy":-302.28229551,"energy_per_atom":-8.396730430833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-272.85629551,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.9994252,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.380000Z","spacegroup":146},{"id":"mp-679986","created_at":"2022-09-04T14:39:43.143342Z","structure_string":"Ce24 Br48 N8\n1.0\n11.160133 0.000000 0.000000\n0.000000 11.828192 0.000000\n0.000000 0.000000 17.111946\nCe Br N\n24 48 8\ndirect\n0.652520 0.461791 0.328006 Ce\n0.347480 0.538209 0.671994 Ce\n0.489622 0.721409 0.050184 Ce\n0.510378 0.278591 0.949816 Ce\n0.152520 0.038209 0.671994 Ce\n0.847480 0.538209 0.828006 Ce\n0.989622 0.778591 0.949816 Ce\n0.865299 0.520460 0.058744 Ce\n0.365299 0.520460 0.441256 Ce\n0.634701 0.020460 0.058744 Ce\n0.489622 0.778591 0.550184 Ce\n0.634701 0.479540 0.558744 Ce\n0.652520 0.038209 0.828006 Ce\n0.989622 0.721409 0.449816 Ce\n0.865299 0.979540 0.558744 Ce\n0.152520 0.461791 0.171994 Ce\n0.134701 0.479540 0.941256 Ce\n0.365299 0.979540 0.941256 Ce\n0.510378 0.221409 0.449816 Ce\n0.010378 0.278591 0.550184 Ce\n0.847480 0.961791 0.328006 Ce\n0.010378 0.221409 0.050184 Ce\n0.134701 0.020460 0.441256 Ce\n0.347480 0.961791 0.171994 Ce\n0.367889 0.062499 0.338360 Br\n0.132111 0.937501 0.838360 Br\n0.835050 0.786226 0.809935 Br\n0.367889 0.437501 0.838360 Br\n0.641164 0.531435 0.945522 Br\n0.604378 0.914106 0.225320 Br\n0.755660 0.715107 0.545791 Br\n0.244340 0.284893 0.454209 Br\n0.395622 0.085894 0.774680 Br\n0.467723 0.314171 0.625079 Br\n0.604378 0.585894 0.725320 Br\n0.032277 0.814171 0.625079 Br\n0.244340 0.215107 0.954209 Br\n0.358836 0.468565 0.054478 Br\n0.744340 0.215107 0.545791 Br\n0.632111 0.937501 0.661640 Br\n0.967723 0.185829 0.374921 Br\n0.632111 0.562499 0.161640 Br\n0.858836 0.468565 0.445522 Br\n0.255660 0.784893 0.454209 Br\n0.867889 0.062499 0.161640 Br\n0.164950 0.213774 0.190065 Br\n0.132111 0.562499 0.338360 Br\n0.141164 0.531435 0.554478 Br\n0.141164 0.968565 0.054478 Br\n0.532277 0.685829 0.374921 Br\n0.744340 0.284893 0.045791 Br\n0.858836 0.031435 0.945522 Br\n0.664950 0.286226 0.809935 Br\n0.835050 0.713774 0.309935 Br\n0.104378 0.585894 0.774680 Br\n0.358836 0.031435 0.554478 Br\n0.467723 0.185829 0.125079 Br\n0.664950 0.213774 0.309935 Br\n0.395622 0.414106 0.274680 Br\n0.895622 0.085894 0.725320 Br\n0.755660 0.784893 0.045791 Br\n0.335050 0.713774 0.190065 Br\n0.532277 0.814171 0.874921 Br\n0.335050 0.786226 0.690065 Br\n0.641164 0.968565 0.445522 Br\n0.164950 0.286226 0.690065 Br\n0.032277 0.685829 0.125079 Br\n0.895622 0.414106 0.225320 Br\n0.104378 0.914106 0.274680 Br\n0.967723 0.314171 0.874921 Br\n0.255660 0.715107 0.954209 Br\n0.867889 0.437501 0.661640 Br\n0.451009 0.589519 0.559090 N\n0.548991 0.089519 0.940910 N\n0.951009 0.910481 0.440910 N\n0.451009 0.910481 0.059090 N\n0.048991 0.410481 0.059090 N\n0.951009 0.589519 0.940910 N\n0.548991 0.410481 0.440910 N\n0.048991 0.089519 0.559090 N\n","nsites":80,"nelements":3,"elements":["Ce","Br","N"],"chemical_system":"Br-Ce-N","density":5.373942039504934,"density_atomic":0.035416272461991104,"volume":2258.848671492923,"volume_molar":17.003880819086728,"formula_full":"Ce24 Br48 N8","formula_reduced":"Ce3Br6N","formula_anonymous":"AB3C6","energy":-459.73333078,"energy_per_atom":-5.74666663475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-431.21333078,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.4674601,"is_theoretical":false,"updated_at":"2021-11-28T01:34:33.599000Z","spacegroup":61},{"id":"mp-651601","created_at":"2022-09-04T14:39:43.141575Z","structure_string":"K8 Fe8 P8 O28 F8\n1.0\n7.310319 0.000000 0.000000\n0.000000 11.112790 0.000000\n0.000000 0.000000 11.892479\nK Fe P O F\n8 8 8 28 8\ndirect\n0.572824 0.951214 0.184788 K\n0.927176 0.451214 0.315212 K\n0.927176 0.951214 0.684788 K\n0.572824 0.451214 0.815212 K\n0.072824 0.048786 0.315212 K\n0.427176 0.048786 0.815212 K\n0.072824 0.548786 0.684788 K\n0.427176 0.548786 0.184788 K\n0.000000 0.750000 0.115184 Fe\n0.500000 0.250000 0.384816 Fe\n0.500000 0.750000 0.615184 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.250000 0.884816 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.194634 0.718093 0.415554 P\n0.694634 0.781907 0.915554 P\n0.694634 0.281907 0.084446 P\n0.305366 0.218093 0.084446 P\n0.194634 0.218093 0.584446 P\n0.805366 0.281907 0.584446 P\n0.305366 0.718093 0.915554 P\n0.805366 0.781907 0.415554 P\n0.725464 0.706510 0.018090 O\n0.774536 0.706510 0.518090 O\n0.274536 0.293490 0.981910 O\n0.440809 0.083546 0.365625 O\n0.225464 0.293490 0.481910 O\n0.277487 0.084733 0.085062 O\n0.000000 0.250000 0.641941 O\n0.000000 0.750000 0.358059 O\n0.559191 0.416454 0.365625 O\n0.277487 0.584733 0.914938 O\n0.222513 0.584733 0.414938 O\n0.722513 0.415267 0.085062 O\n0.722513 0.915267 0.914938 O\n0.940809 0.916454 0.134375 O\n0.725464 0.206510 0.981910 O\n0.440809 0.583546 0.634375 O\n0.222513 0.084733 0.585062 O\n0.559191 0.916454 0.634375 O\n0.274536 0.793490 0.018090 O\n0.225464 0.793490 0.518090 O\n0.774536 0.206510 0.481910 O\n0.500000 0.250000 0.141941 O\n0.777487 0.415267 0.585062 O\n0.940809 0.416454 0.865625 O\n0.059191 0.083546 0.865625 O\n0.777487 0.915267 0.414938 O\n0.059191 0.583546 0.134375 O\n0.500000 0.750000 0.858059 O\n0.315278 0.773325 0.314947 F\n0.684722 0.226675 0.685053 F\n0.184722 0.273325 0.185053 F\n0.315278 0.273325 0.685053 F\n0.815278 0.726675 0.814947 F\n0.184722 0.773325 0.814947 F\n0.684722 0.726675 0.314947 F\n0.815278 0.226675 0.185053 F\n","nsites":60,"nelements":5,"elements":["K","Fe","P","O","F"],"chemical_system":"F-Fe-K-O-P","density":2.762587758395163,"density_atomic":0.06210397824491456,"volume":966.1216832741815,"volume_molar":9.696867946608764,"formula_full":"K8 Fe8 P8 O28 F8","formula_reduced":"K2Fe2P2O7F2","formula_anonymous":"A2B2C2D2E7","energy":-411.20867947,"energy_per_atom":-6.853477991166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-370.22867947,"band_gap":1.9967,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":32.000032,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.475000Z","spacegroup":60},{"id":"mp-769519","created_at":"2022-09-04T14:39:43.220757Z","structure_string":"Li21 Fe4 O16\n1.0\n4.725594 4.530576 0.000000\n-4.725594 4.530576 0.000000\n0.000000 0.022865 9.495796\nLi Fe O\n21 4 16\ndirect\n0.464288 0.950042 0.762801 Li\n0.455547 0.955876 0.254570 Li\n0.281077 0.272704 0.722376 Li\n0.223648 0.219599 0.472621 Li\n0.278058 0.275643 0.221017 Li\n0.250007 0.243685 0.971448 Li\n0.044124 0.544453 0.745430 Li\n0.049958 0.535712 0.237199 Li\n0.018696 0.973696 0.738898 Li\n0.026304 0.981304 0.261102 Li\n0.965018 0.456429 0.490055 Li\n0.970918 0.029082 0.000000 Li\n0.969355 0.464854 0.991906 Li\n0.780401 0.776352 0.527379 Li\n0.724357 0.721942 0.778983 Li\n0.756315 0.749993 0.028552 Li\n0.727296 0.718923 0.277624 Li\n0.543571 0.034982 0.509945 Li\n0.535146 0.030645 0.008094 Li\n0.522934 0.477066 0.500000 Li\n0.515762 0.484238 0.000000 Li\n0.246229 0.753771 0.500000 Fe\n0.246737 0.753263 0.000000 Fe\n0.744035 0.255494 0.748491 Fe\n0.744506 0.255965 0.251509 Fe\n0.501906 0.239351 0.862212 O\n0.499968 0.234206 0.363812 O\n0.234823 0.478620 0.089311 O\n0.262789 0.997304 0.614220 O\n0.245322 0.019810 0.115124 O\n0.235392 0.488478 0.588352 O\n0.007132 0.264601 0.339824 O\n0.006224 0.250899 0.847030 O\n0.002696 0.737211 0.385780 O\n0.980190 0.754678 0.884876 O\n0.749101 0.993776 0.152970 O\n0.735399 0.992868 0.660176 O\n0.765794 0.500032 0.636188 O\n0.760649 0.498094 0.137788 O\n0.511522 0.764608 0.411648 O\n0.521380 0.765177 0.910689 O\n","nsites":41,"nelements":3,"elements":["Li","Fe","O"],"chemical_system":"Fe-Li-O","density":2.5529905845045717,"density_atomic":0.10083531482026435,"volume":406.6035800362319,"volume_molar":5.972253640239304,"formula_full":"Li21 Fe4 O16","formula_reduced":"Li21(FeO4)4","formula_anonymous":"A4B16C21","energy":-235.99142479,"energy_per_atom":-5.755888409512195,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-215.97542479,"band_gap":1.0675,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.9950095,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.607000Z","spacegroup":5},{"id":"mp-21620","created_at":"2022-09-04T14:39:43.221497Z","structure_string":"U8 Si20 Tc12\n1.0\n10.940312 0.000000 0.000000\n0.000000 10.940312 0.000000\n0.000000 0.000000 5.481391\nU Si Tc\n8 20 12\ndirect\n0.235582 0.073688 0.500000 U\n0.764418 0.926312 0.500000 U\n0.926312 0.235582 0.500000 U\n0.073688 0.764418 0.500000 U\n0.573688 0.735582 0.000000 U\n0.735582 0.426312 0.000000 U\n0.264418 0.573688 0.000000 U\n0.426312 0.264418 0.000000 U\n0.500000 0.500000 0.765286 Si\n0.000000 0.000000 0.734714 Si\n0.500000 0.500000 0.234714 Si\n0.000000 0.000000 0.265286 Si\n0.674177 0.174177 0.750000 Si\n0.174177 0.325823 0.750000 Si\n0.825823 0.674177 0.750000 Si\n0.325823 0.825823 0.750000 Si\n0.325823 0.825823 0.250000 Si\n0.825823 0.674177 0.250000 Si\n0.174177 0.325823 0.250000 Si\n0.674177 0.174177 0.250000 Si\n0.475434 0.184250 0.500000 Si\n0.524566 0.815750 0.500000 Si\n0.815750 0.475434 0.500000 Si\n0.315750 0.024566 0.000000 Si\n0.684250 0.975434 0.000000 Si\n0.975434 0.315750 0.000000 Si\n0.024566 0.684250 0.000000 Si\n0.184250 0.524566 0.500000 Si\n0.141975 0.875611 0.000000 Tc\n0.500000 0.000000 0.750000 Tc\n0.000000 0.500000 0.250000 Tc\n0.500000 0.000000 0.250000 Tc\n0.358025 0.375611 0.500000 Tc\n0.641975 0.624389 0.500000 Tc\n0.624389 0.358025 0.500000 Tc\n0.375611 0.641975 0.500000 Tc\n0.875611 0.858025 0.000000 Tc\n0.858025 0.124389 0.000000 Tc\n0.124389 0.141975 0.000000 Tc\n0.000000 0.500000 0.750000 Tc\n","nsites":40,"nelements":3,"elements":["U","Si","Tc"],"chemical_system":"Si-Tc-U","density":9.217896749625782,"density_atomic":0.06096910135418385,"volume":656.0700274657255,"volume_molar":9.877365134539161,"formula_full":"U8 Si20 Tc12","formula_reduced":"U2Si5Tc3","formula_anonymous":"A2B3C5","energy":-342.41608346,"energy_per_atom":-8.5604020865,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-343.83608346000005,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.5614375,"is_theoretical":false,"updated_at":"2021-11-28T01:34:32.842000Z","spacegroup":128},{"id":"mp-755567","created_at":"2022-09-04T14:39:43.419138Z","structure_string":"Fe6 O8 F4\n1.0\n4.679750 0.000000 0.000000\n0.000000 4.679750 0.000000\n0.000000 0.000000 9.132089\nFe O F\n6 8 4\ndirect\n0.500000 0.500000 0.681017 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.318983 Fe\n0.000000 0.000000 0.818983 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.181017 Fe\n0.693749 0.306251 0.843899 O\n0.693749 0.306251 0.156101 O\n0.806251 0.806251 0.656101 O\n0.806251 0.806251 0.343899 O\n0.193749 0.193749 0.656101 O\n0.193749 0.193749 0.343899 O\n0.306251 0.693749 0.843899 O\n0.306251 0.693749 0.156101 O\n0.688588 0.311412 0.500000 F\n0.811412 0.811412 0.000000 F\n0.188588 0.188588 0.000000 F\n0.311412 0.688588 0.500000 F\n","nsites":18,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.475791082045197,"density_atomic":0.09000301618283536,"volume":199.9932975960956,"volume_molar":6.691043273223652,"formula_full":"Fe6 O8 F4","formula_reduced":"Fe3(O2F)2","formula_anonymous":"A2B3C4","energy":-130.11324317,"energy_per_atom":-7.228513509444444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-109.23324317,"band_gap":0.298,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":28.0014076,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.159000Z","spacegroup":136},{"id":"mp-801720","created_at":"2022-09-04T14:39:43.148352Z","structure_string":"Li5 Mn3 Co2 O10\n1.0\n5.250629 0.000000 0.000000\n-0.853451 5.169850 0.000000\n-1.938500 -2.732546 6.954980\nLi Mn Co O\n5 3 2 10\ndirect\n0.392394 0.086433 0.411656 Li\n0.829927 0.714787 0.782259 Li\n0.500000 0.500000 0.500000 Li\n0.170073 0.285213 0.217741 Li\n0.607606 0.913567 0.588344 Li\n0.000000 0.500000 0.000000 Mn\n0.903012 0.100468 0.896256 Mn\n0.096988 0.899532 0.103744 Mn\n0.724089 0.337108 0.685013 Co\n0.275911 0.662892 0.314987 Co\n0.362454 0.383399 0.855021 O\n0.412470 0.811665 0.952237 O\n0.044882 0.224735 0.543272 O\n0.781136 0.014820 0.229084 O\n0.129515 0.563371 0.662978 O\n0.870485 0.436629 0.337022 O\n0.218864 0.985180 0.770916 O\n0.955118 0.775265 0.456728 O\n0.587530 0.188335 0.047763 O\n0.637546 0.616601 0.144979 O\n","nsites":20,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.1988245192056715,"density_atomic":0.10593630839083074,"volume":188.79268405515904,"volume_molar":5.684680589191877,"formula_full":"Li5 Mn3 Co2 O10","formula_reduced":"Li5Mn3(CoO5)2","formula_anonymous":"A2B3C5D10","energy":-75.65818961000001,"energy_per_atom":-3.7829094805000003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-60.50818961,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.5191534,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.458000Z","spacegroup":2},{"id":"mp-34148","created_at":"2022-09-04T14:39:43.148873Z","structure_string":"Li4 Mn2 Cl8\n1.0\n-3.756610 3.765220 5.217052\n3.756610 -3.765220 5.217052\n3.756610 3.765220 -5.217052\nLi Mn Cl\n4 2 8\ndirect\n0.119207 0.369207 0.750000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.880793 0.630793 0.250000 Li\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.254814 0.770093 0.015279 Cl\n0.254814 0.239535 0.484721 Cl\n0.251806 0.239507 0.012299 Cl\n0.727209 0.239507 0.487701 Cl\n0.272791 0.760493 0.512299 Cl\n0.748194 0.760493 0.987701 Cl\n0.745186 0.760465 0.515279 Cl\n0.745186 0.229907 0.984721 Cl\n","nsites":14,"nelements":3,"elements":["Li","Mn","Cl"],"chemical_system":"Cl-Li-Mn","density":2.3699103271050976,"density_atomic":0.04743035898614397,"volume":295.1695981067712,"volume_molar":12.696806199082902,"formula_full":"Li4 Mn2 Cl8","formula_reduced":"Li2MnCl4","formula_anonymous":"AB2C4","energy":-66.72844912000001,"energy_per_atom":-4.7663177942857144,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.81644912000001,"band_gap":1.8782,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":10.0002296,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.490000Z","spacegroup":74}]}