{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=10125","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=10123","results":[{"id":"mp-559643","created_at":"2022-09-04T14:46:53.170545Z","structure_string":"Rb4 Mn2 P4 S12\n1.0\n12.585760 0.000000 0.000000\n0.000000 6.183051 0.000000\n0.000000 5.121379 7.684523\nRb Mn P S\n4 2 4 12\ndirect\n0.326232 0.203636 0.525414 Rb\n0.673768 0.796364 0.474586 Rb\n0.826232 0.796364 0.974586 Rb\n0.173768 0.203636 0.025414 Rb\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.460247 0.845307 0.123768 P\n0.039753 0.845307 0.623768 P\n0.960247 0.154693 0.376232 P\n0.539753 0.154693 0.876232 P\n0.075122 0.033923 0.740285 S\n0.664562 0.278202 0.952527 S\n0.068062 0.448776 0.253202 S\n0.924878 0.966077 0.259715 S\n0.424878 0.033923 0.240285 S\n0.335438 0.721798 0.047473 S\n0.431938 0.448776 0.753202 S\n0.568062 0.551224 0.246798 S\n0.575122 0.966077 0.759715 S\n0.164562 0.721798 0.547473 S\n0.931938 0.551224 0.746798 S\n0.835438 0.278202 0.452527 S\n","nsites":22,"nelements":4,"elements":["Rb","Mn","P","S"],"chemical_system":"Mn-P-Rb-S","density":2.66693334002896,"density_atomic":0.03678946662403788,"volume":597.9972535297757,"volume_molar":16.36919834022598,"formula_full":"Rb4 Mn2 P4 S12","formula_reduced":"Rb2Mn(PS3)2","formula_anonymous":"AB2C2D6","energy":-115.39986918,"energy_per_atom":-5.245448599090909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-109.36386918,"band_gap":0.2352000000000003,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":9.9989471,"is_theoretical":false,"updated_at":"2021-11-28T01:37:43.529000Z","spacegroup":14},{"id":"mp-1197777","created_at":"2022-09-04T14:43:16.501453Z","structure_string":"Mn2 Tl4 H24 S4 O28\n1.0\n0.050333 0.000000 6.339344\n9.048295 0.000000 -2.587660\n0.000000 12.843190 0.000000\nMn Tl H S O\n2 4 24 4 28\ndirect\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.344147 0.618726 0.136628 Tl\n0.655853 0.881274 0.636628 Tl\n0.655853 0.381274 0.863372 Tl\n0.344147 0.118726 0.363372 Tl\n0.327274 0.721704 0.400864 H\n0.672726 0.778296 0.900864 H\n0.672726 0.278296 0.599136 H\n0.327274 0.221704 0.099136 H\n0.095026 0.748563 0.368713 H\n0.904974 0.751437 0.868713 H\n0.904974 0.251437 0.631287 H\n0.095026 0.248563 0.131287 H\n0.927648 0.224064 0.395674 H\n0.072352 0.275936 0.895674 H\n0.072352 0.775936 0.604326 H\n0.927648 0.724064 0.104326 H\n0.991242 0.348714 0.309161 H\n0.008758 0.151286 0.809161 H\n0.008758 0.651286 0.690839 H\n0.991242 0.848714 0.190839 H\n0.349281 0.400940 0.565939 H\n0.650719 0.099060 0.065939 H\n0.650719 0.599060 0.434061 H\n0.349281 0.900940 0.934061 H\n0.334160 0.524476 0.646622 H\n0.665840 0.975524 0.146622 H\n0.665840 0.475524 0.353378 H\n0.334160 0.024476 0.853378 H\n0.734871 0.905033 0.359967 S\n0.265129 0.594967 0.859967 S\n0.265129 0.094967 0.640033 S\n0.734871 0.405033 0.140033 S\n0.594177 0.916007 0.268817 O\n0.405823 0.583993 0.768817 O\n0.405823 0.083993 0.731183 O\n0.594177 0.416007 0.231183 O\n0.781492 0.042798 0.423483 O\n0.218508 0.457202 0.923483 O\n0.218508 0.957202 0.576517 O\n0.781492 0.542798 0.076517 O\n0.612324 0.779403 0.427440 O\n0.387676 0.720597 0.927440 O\n0.387676 0.220597 0.572560 O\n0.612324 0.279403 0.072560 O\n0.945783 0.877825 0.323161 O\n0.054217 0.622175 0.823161 O\n0.054217 0.122175 0.676839 O\n0.945783 0.377825 0.176839 O\n0.170444 0.672460 0.386965 O\n0.829556 0.827540 0.886965 O\n0.829556 0.327540 0.613035 O\n0.170444 0.172460 0.113035 O\n0.019558 0.326113 0.382633 O\n0.980442 0.173887 0.882633 O\n0.980442 0.673887 0.617367 O\n0.019558 0.826113 0.117367 O\n0.307034 0.494509 0.572386 O\n0.692966 0.005491 0.072386 O\n0.692966 0.505491 0.427614 O\n0.307034 0.994509 0.927614 O\n","nsites":62,"nelements":5,"elements":["Mn","Tl","H","S","O"],"chemical_system":"H-Mn-O-S-Tl","density":3.436045075145882,"density_atomic":0.08396971931493978,"volume":738.3614058236949,"volume_molar":7.171800512293184,"formula_full":"Mn2 Tl4 H24 S4 O28","formula_reduced":"MnTl2H12(SO7)2","formula_anonymous":"AB2C2D12E14","energy":-358.62018776,"energy_per_atom":-5.784196576774194,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-336.04818776,"band_gap":3.9623,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9989517,"is_theoretical":false,"updated_at":"2021-11-28T01:36:18.531000Z","spacegroup":14},{"id":"mp-39160","created_at":"2022-09-04T14:39:24.347840Z","structure_string":"Ca2 Ti2 Fe2 P6 O24\n1.0\n7.729447 -4.331904 0.000000\n7.729447 4.331904 0.000000\n5.301668 0.000000 7.099440\nCa Ti Fe P O\n2 2 2 6 24\ndirect\n0.997781 0.997781 0.997781 Ca\n0.497781 0.497781 0.497781 Ca\n0.147489 0.147489 0.147489 Ti\n0.647489 0.647489 0.647489 Ti\n0.352228 0.352228 0.352228 Fe\n0.852228 0.852228 0.852228 Fe\n0.459763 0.041541 0.750866 P\n0.750866 0.459763 0.041541 P\n0.041541 0.750866 0.459763 P\n0.959763 0.250866 0.541541 P\n0.250866 0.541541 0.959763 P\n0.541541 0.959763 0.250866 P\n0.507087 0.120757 0.296790 O\n0.120757 0.296790 0.507087 O\n0.271797 0.058318 0.921572 O\n0.296790 0.507087 0.120757 O\n0.620757 0.007087 0.796790 O\n0.436935 0.226750 0.582998 O\n0.921572 0.271797 0.058318 O\n0.582998 0.436935 0.226750 O\n0.998631 0.206429 0.372269 O\n0.226750 0.582998 0.436935 O\n0.936935 0.082998 0.726750 O\n0.206429 0.372269 0.998631 O\n0.796790 0.620757 0.007087 O\n0.058318 0.921572 0.271797 O\n0.771797 0.421572 0.558318 O\n0.007087 0.796790 0.620757 O\n0.421572 0.558318 0.771797 O\n0.082998 0.726750 0.936935 O\n0.558318 0.771797 0.421572 O\n0.372269 0.998631 0.206429 O\n0.706429 0.498631 0.872269 O\n0.726750 0.936935 0.082998 O\n0.872269 0.706429 0.498631 O\n0.498631 0.872269 0.706429 O\n","nsites":36,"nelements":5,"elements":["Ca","Ti","Fe","P","O"],"chemical_system":"Ca-Fe-O-P-Ti","density":2.994714186383907,"density_atomic":0.07572184108058451,"volume":475.42425654558724,"volume_molar":7.952977204544106,"formula_full":"Ca2 Ti2 Fe2 P6 O24","formula_reduced":"CaTiFe(PO4)3","formula_anonymous":"ABCD3E12","energy":-292.24603942,"energy_per_atom":-8.117945539444444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-271.24603942,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":9.9989555,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.094000Z","spacegroup":161},{"id":"mp-1217055","created_at":"2022-09-04T14:48:26.165503Z","structure_string":"Ti2 Al2 Fe2 O10\n1.0\n1.871771 -4.882911 0.000000\n1.871771 4.882911 0.000000\n0.000000 0.000000 9.745326\nTi Al Fe O\n2 2 2 10\ndirect\n0.131997 0.868003 0.064501 Ti\n0.868003 0.131997 0.564501 Ti\n0.809768 0.190232 0.250953 Al\n0.190232 0.809768 0.750953 Al\n0.862489 0.137511 0.930368 Fe\n0.137511 0.862489 0.430368 Fe\n0.695752 0.304248 0.419274 O\n0.312311 0.687689 0.584935 O\n0.687689 0.312311 0.084935 O\n0.304248 0.695752 0.919274 O\n0.945662 0.054338 0.384325 O\n0.046632 0.953368 0.621003 O\n0.953368 0.046632 0.121003 O\n0.054338 0.945662 0.884325 O\n0.253815 0.746185 0.244641 O\n0.746185 0.253815 0.744641 O\n","nsites":16,"nelements":4,"elements":["Ti","Al","Fe","O"],"chemical_system":"Al-Fe-O-Ti","density":3.9279525810574567,"density_atomic":0.08981773365653302,"volume":178.13854067154162,"volume_molar":6.704846041906303,"formula_full":"Ti2 Al2 Fe2 O10","formula_reduced":"TiAlFeO5","formula_anonymous":"ABCD5","energy":-135.81949774,"energy_per_atom":-8.48871860875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-124.43749774,"band_gap":1.6263,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9989585,"is_theoretical":true,"updated_at":"2021-11-28T01:39:30.219000Z","spacegroup":36},{"id":"mp-1174095","created_at":"2022-09-04T14:44:13.121004Z","structure_string":"Li5 Mn1 Co2 O8\n1.0\n2.939612 0.000000 0.000000\n0.000000 5.926150 0.000000\n0.000000 0.081088 8.108976\nLi Mn Co O\n5 1 2 8\ndirect\n0.000000 0.007575 0.513303 Li\n0.500000 0.249048 0.254685 Li\n0.000000 0.492591 0.990491 Li\n0.500000 0.762794 0.742043 Li\n0.500000 0.237079 0.743620 Li\n0.000000 0.003962 0.990988 Mn\n0.000000 0.487119 0.510007 Co\n0.500000 0.754803 0.261302 Co\n0.000000 0.513458 0.270044 O\n0.500000 0.773287 0.006801 O\n0.000000 0.997935 0.766849 O\n0.500000 0.267869 0.497548 O\n0.000000 0.501737 0.722010 O\n0.500000 0.741593 0.492795 O\n0.000000 0.987014 0.237014 O\n0.500000 0.222136 0.000500 O\n","nsites":16,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":3.943836982839907,"density_atomic":0.11326384902366902,"volume":141.2630785367045,"volume_molar":5.31691339461856,"formula_full":"Li5 Mn1 Co2 O8","formula_reduced":"Li5Mn(CoO4)2","formula_anonymous":"AB2C5D8","energy":-101.71306241,"energy_per_atom":-6.357066400625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.27306241,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9989676,"is_theoretical":true,"updated_at":"2021-11-28T01:36:35.199000Z","spacegroup":6},{"id":"mp-561000","created_at":"2022-09-04T14:41:19.607601Z","structure_string":"Cs4 K1 Li1 Fe2 F12\n1.0\n10.654607 -3.227112 0.000000\n10.654607 3.227112 0.000000\n9.677166 0.000000 5.503395\nCs K Li Fe F\n4 1 1 2 12\ndirect\n0.284527 0.284527 0.284527 Cs\n0.715473 0.715473 0.715473 Cs\n0.866648 0.866648 0.866648 Cs\n0.133352 0.133352 0.133352 Cs\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Li\n0.415815 0.415815 0.415815 Fe\n0.584185 0.584185 0.584185 Fe\n0.328146 0.763389 0.763389 F\n0.236611 0.671854 0.236611 F\n0.763389 0.328146 0.763389 F\n0.763389 0.763389 0.328146 F\n0.236611 0.236611 0.671854 F\n0.671854 0.236611 0.236611 F\n0.406029 0.406029 0.819741 F\n0.180259 0.593971 0.593971 F\n0.593971 0.593971 0.180259 F\n0.593971 0.180259 0.593971 F\n0.406029 0.819741 0.406029 F\n0.819741 0.406029 0.406029 F\n","nsites":20,"nelements":5,"elements":["Cs","K","Li","Fe","F"],"chemical_system":"Cs-F-Fe-K-Li","density":4.024977541493178,"density_atomic":0.05284669617095649,"volume":378.45317586743687,"volume_molar":11.3954914807137,"formula_full":"Cs4 K1 Li1 Fe2 F12","formula_reduced":"Cs4KLiFe2F12","formula_anonymous":"ABC2D4E12","energy":-105.58180033,"energy_per_atom":-5.2790900165,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.52580033,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9989681,"is_theoretical":false,"updated_at":"2021-11-28T01:35:15.685000Z","spacegroup":166},{"id":"mp-767438","created_at":"2022-09-04T14:41:49.277014Z","structure_string":"Y2 Fe2 Ge4 O14\n1.0\n4.347950 5.426554 0.000000\n-4.347950 5.426554 0.000000\n0.000000 3.058118 5.990409\nY Fe Ge O\n2 2 4 14\ndirect\n0.206856 0.793144 0.000000 Y\n0.793144 0.206856 0.000000 Y\n0.303686 0.696314 0.500000 Fe\n0.696314 0.303686 0.500000 Fe\n0.219145 0.219145 0.483139 Ge\n0.780855 0.780855 0.516861 Ge\n0.696757 0.696757 0.076520 Ge\n0.303243 0.303243 0.923480 Ge\n0.432108 0.786338 0.170977 O\n0.213662 0.567892 0.829023 O\n0.567892 0.213662 0.829023 O\n0.786338 0.432108 0.170977 O\n0.365365 0.365365 0.541066 O\n0.634635 0.634635 0.458934 O\n0.316528 0.316528 0.185766 O\n0.683472 0.683472 0.814234 O\n0.131706 0.131706 0.968929 O\n0.868294 0.868294 0.031071 O\n0.275350 0.947556 0.596672 O\n0.052444 0.724650 0.403328 O\n0.724650 0.052444 0.403328 O\n0.947556 0.275350 0.596672 O\n","nsites":22,"nelements":4,"elements":["Y","Fe","Ge","O"],"chemical_system":"Fe-Ge-O-Y","density":4.723226745674206,"density_atomic":0.07782650713589272,"volume":282.6800380696238,"volume_molar":7.737904451351968,"formula_full":"Y2 Fe2 Ge4 O14","formula_reduced":"YFeGe2O7","formula_anonymous":"ABC2D7","energy":-172.02557346999998,"energy_per_atom":-7.819344248636363,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-157.89557347,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9989688,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.222000Z","spacegroup":12},{"id":"mp-776107","created_at":"2022-09-04T14:41:53.208580Z","structure_string":"Li4 Fe2 F10\n1.0\n5.271958 0.000000 0.000000\n-2.356464 5.202973 0.000000\n-0.402930 -2.389719 6.582576\nLi Fe F\n4 2 10\ndirect\n0.498947 0.998624 0.500008 Li\n0.190555 0.330178 0.228343 Li\n0.805482 0.665523 0.770799 Li\n0.489119 0.992482 0.000295 Li\n0.877082 0.749107 0.275061 Fe\n0.119692 0.246314 0.724068 Fe\n0.566820 0.390588 0.182739 F\n0.843636 0.349915 0.632438 F\n0.199860 0.151666 0.431712 F\n0.153077 0.646270 0.367313 F\n0.348605 0.067338 0.764519 F\n0.797096 0.844618 0.567202 F\n0.968238 0.210768 0.961227 F\n0.031989 0.785486 0.038167 F\n0.430316 0.605018 0.816690 F\n0.646670 0.926742 0.234815 F\n","nsites":16,"nelements":3,"elements":["Li","Fe","F"],"chemical_system":"F-Fe-Li","density":3.029726575787936,"density_atomic":0.08861364208252916,"volume":180.55910606967953,"volume_molar":6.795952201571128,"formula_full":"Li4 Fe2 F10","formula_reduced":"Li2FeF5","formula_anonymous":"AB2C5","energy":-90.20150072,"energy_per_atom":-5.637593795,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.06950072,"band_gap":3.8394,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9989947,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.123000Z","spacegroup":2},{"id":"mp-775987","created_at":"2022-09-04T14:41:52.226753Z","structure_string":"Ti3 Fe2 Ni1 P6 O24\n1.0\n7.336791 -4.331631 0.000000\n7.336791 4.331631 0.000000\n4.779403 0.000000 7.053286\nTi Fe Ni P O\n3 2 1 6 24\ndirect\n0.141769 0.141769 0.141769 Ti\n0.355735 0.355735 0.355735 Ti\n0.644858 0.644858 0.644858 Ti\n0.997259 0.997259 0.997259 Fe\n0.498708 0.498708 0.498708 Fe\n0.857934 0.857934 0.857934 Ni\n0.752297 0.044860 0.458506 P\n0.044860 0.458506 0.752297 P\n0.543327 0.250284 0.955466 P\n0.955466 0.543327 0.250284 P\n0.250284 0.955466 0.543327 P\n0.458506 0.752297 0.044860 P\n0.326425 0.114016 0.487791 O\n0.487791 0.326425 0.114016 O\n0.909280 0.057776 0.258401 O\n0.114016 0.487791 0.326425 O\n0.814162 0.014155 0.610569 O\n0.589132 0.240748 0.432959 O\n0.057776 0.258401 0.909280 O\n0.240748 0.432959 0.589132 O\n0.380228 0.184074 0.002379 O\n0.432959 0.589132 0.240748 O\n0.736791 0.096075 0.947256 O\n0.002379 0.380228 0.184074 O\n0.014155 0.610569 0.814162 O\n0.258401 0.909280 0.057776 O\n0.552041 0.413417 0.760872 O\n0.610569 0.814162 0.014155 O\n0.760872 0.552041 0.413417 O\n0.947256 0.736791 0.096075 O\n0.413417 0.760872 0.552041 O\n0.184074 0.002379 0.380228 O\n0.880371 0.503774 0.686306 O\n0.096075 0.947256 0.736791 O\n0.503774 0.686306 0.880371 O\n0.686306 0.880371 0.503774 O\n","nsites":36,"nelements":5,"elements":["Ti","Fe","Ni","P","O"],"chemical_system":"Fe-Ni-O-P-Ti","density":3.2736344457115,"density_atomic":0.08030145419612726,"volume":448.31068578252706,"volume_molar":7.499416816651413,"formula_full":"Ti3 Fe2 Ni1 P6 O24","formula_reduced":"Ti3Fe2Ni(PO4)6","formula_anonymous":"AB2C3D6E24","energy":-296.26852995,"energy_per_atom":-8.229681387500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-272.72752995,"band_gap":1.9837,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":9.9989954,"is_theoretical":true,"updated_at":"2021-11-28T01:35:28.388000Z","spacegroup":146},{"id":"mp-1212211","created_at":"2022-09-04T14:40:33.267573Z","structure_string":"K2 P8 C8 O16\n1.0\n-4.426157 4.426157 12.337450\n4.426157 -4.426157 12.337450\n4.426157 4.426157 -12.337450\nK P C O\n2 8 8 16\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 K\n0.318806 0.157099 0.161707 P\n0.995393 0.157099 0.838293 P\n0.907099 0.245393 0.338293 P\n0.754607 0.092901 0.661707 P\n0.431194 0.092901 0.338293 P\n0.907099 0.568806 0.661707 P\n0.842901 0.004607 0.161707 P\n0.842901 0.681194 0.838293 P\n0.791541 0.381988 0.409553 C\n0.972435 0.381988 0.590447 C\n0.131988 0.222435 0.090447 C\n0.777565 0.868012 0.909553 C\n0.958459 0.868012 0.090447 C\n0.131988 0.041541 0.909553 C\n0.618012 0.027565 0.409553 C\n0.618012 0.208459 0.590447 C\n0.679826 0.610127 0.069698 O\n0.540429 0.610127 0.930302 O\n0.360127 0.790429 0.430302 O\n0.209571 0.639873 0.569698 O\n0.070174 0.639873 0.430302 O\n0.360127 0.929826 0.569698 O\n0.389873 0.459571 0.069698 O\n0.389873 0.320174 0.930302 O\n0.436604 0.213090 0.223515 O\n0.989575 0.213090 0.776485 O\n0.963090 0.239575 0.276485 O\n0.760425 0.036910 0.723515 O\n0.313396 0.036910 0.276485 O\n0.963090 0.686604 0.723515 O\n0.786910 0.010425 0.223515 O\n0.786910 0.563396 0.776485 O\n","nsites":34,"nelements":4,"elements":["K","P","C","O"],"chemical_system":"C-K-O-P","density":1.164608413314269,"density_atomic":0.03516736999806936,"volume":966.8053084966704,"volume_molar":17.124228397888743,"formula_full":"K2 P8 C8 O16","formula_reduced":"KP4(CO2)4","formula_anonymous":"AB4C4D8","energy":-203.2632095,"energy_per_atom":-5.97832969117647,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-200.6872095,"band_gap":0.0010000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":9.9990031,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.753000Z","spacegroup":141},{"id":"mp-754984","created_at":"2022-09-04T14:45:13.172742Z","structure_string":"Li4 Cr6 Cu2 O16\n1.0\n2.885464 -4.997770 0.000000\n2.885464 4.997770 0.000000\n0.000000 0.000000 9.657331\nLi Cr Cu O\n4 6 2 16\ndirect\n0.666667 0.333333 0.893715 Li\n0.000000 0.000000 0.996642 Li\n0.000000 0.000000 0.496642 Li\n0.333333 0.666667 0.393715 Li\n0.828271 0.171729 0.214823 Cr\n0.828271 0.656541 0.214823 Cr\n0.343459 0.171729 0.214823 Cr\n0.656541 0.828271 0.714823 Cr\n0.171729 0.343459 0.714823 Cr\n0.171729 0.828271 0.714823 Cr\n0.666667 0.333333 0.495371 Cu\n0.333333 0.666667 0.995371 Cu\n0.842760 0.157240 0.609689 O\n0.964352 0.482176 0.329825 O\n0.666667 0.333333 0.100218 O\n0.000000 0.000000 0.310135 O\n0.000000 0.000000 0.810135 O\n0.842760 0.685521 0.609689 O\n0.517824 0.035648 0.329825 O\n0.517824 0.482176 0.329825 O\n0.685521 0.842760 0.109689 O\n0.314479 0.157240 0.609689 O\n0.482176 0.517824 0.829825 O\n0.482176 0.964352 0.829825 O\n0.333333 0.666667 0.600218 O\n0.157240 0.314479 0.109689 O\n0.035648 0.517824 0.829825 O\n0.157240 0.842760 0.109689 O\n","nsites":28,"nelements":4,"elements":["Li","Cr","Cu","O"],"chemical_system":"Cr-Cu-Li-O","density":4.309253292047107,"density_atomic":0.10052613673288431,"volume":278.5345275368628,"volume_molar":5.990621897668158,"formula_full":"Li4 Cr6 Cu2 O16","formula_reduced":"Li2Cr3CuO8","formula_anonymous":"AB2C3D8","energy":-206.52255531,"energy_per_atom":-7.375805546785714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-183.53655531,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9990057,"is_theoretical":true,"updated_at":"2021-11-28T01:36:57.119000Z","spacegroup":186},{"id":"mp-558892","created_at":"2022-09-04T14:44:13.198738Z","structure_string":"Mn2 V2 Bi2 O10\n1.0\n5.207372 -0.020151 -1.662398\n-1.621918 6.428271 -2.399149\n0.005360 0.017981 7.099560\nMn V Bi O\n2 2 2 10\ndirect\n0.327124 0.367546 0.227635 Mn\n0.672876 0.632454 0.772365 Mn\n0.658201 0.180856 0.885933 V\n0.341799 0.819144 0.114067 V\n0.102971 0.756005 0.535272 Bi\n0.897029 0.243995 0.464728 Bi\n0.225413 0.659937 0.230440 O\n0.774587 0.340063 0.769560 O\n0.434314 0.085014 0.289170 O\n0.565686 0.914986 0.710830 O\n0.617507 0.755634 0.071513 O\n0.382493 0.244366 0.928487 O\n0.735698 0.502780 0.449830 O\n0.264302 0.497220 0.550170 O\n0.909626 0.217037 0.129649 O\n0.090374 0.782963 0.870351 O\n","nsites":16,"nelements":4,"elements":["Mn","V","Bi","O"],"chemical_system":"Bi-Mn-O-V","density":5.515621660942782,"density_atomic":0.06729698024195797,"volume":237.7521241291062,"volume_molar":8.948604734340439,"formula_full":"Mn2 V2 Bi2 O10","formula_reduced":"MnVBiO5","formula_anonymous":"ABCD5","energy":-128.08397036,"energy_per_atom":-8.0052481475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-114.47797036,"band_gap":1.9709000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9990066,"is_theoretical":false,"updated_at":"2021-11-28T01:36:32.184000Z","spacegroup":2}]}