{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=58","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=56","results":[{"id":"mp-1245407","created_at":"2022-09-04T14:41:31.748999Z","structure_string":"Y6 Ge12 N22\n1.0\n10.369628 0.000000 0.000000\n0.000000 10.369628 0.000000\n0.000000 0.000000 5.165254\nY Ge N\n6 12 22\ndirect\n0.316655 0.816655 0.968066 Y\n0.683345 0.183345 0.968066 Y\n0.183345 0.316655 0.968066 Y\n0.816655 0.683345 0.968066 Y\n0.500000 0.500000 0.965310 Y\n0.000000 0.000000 0.965310 Y\n0.418780 0.294112 0.528151 Ge\n0.581220 0.705888 0.528151 Ge\n0.081220 0.794112 0.528151 Ge\n0.918780 0.205888 0.528151 Ge\n0.294112 0.581220 0.528151 Ge\n0.705888 0.418780 0.528151 Ge\n0.794112 0.918780 0.528151 Ge\n0.205888 0.081220 0.528151 Ge\n0.878843 0.378843 0.046483 Ge\n0.121157 0.621157 0.046483 Ge\n0.621157 0.878843 0.046483 Ge\n0.378843 0.121157 0.046483 Ge\n0.316557 0.422180 0.675190 N\n0.683443 0.577820 0.675190 N\n0.183443 0.922180 0.675190 N\n0.816557 0.077820 0.675190 N\n0.422180 0.683443 0.675190 N\n0.577820 0.316557 0.675190 N\n0.922180 0.816557 0.675190 N\n0.077820 0.183443 0.675190 N\n0.412911 0.288478 0.168906 N\n0.587089 0.711522 0.168906 N\n0.087089 0.788478 0.168906 N\n0.912911 0.211522 0.168906 N\n0.288478 0.587089 0.168906 N\n0.711522 0.412911 0.168906 N\n0.788478 0.912911 0.168906 N\n0.211522 0.087089 0.168906 N\n0.846864 0.346864 0.695736 N\n0.153136 0.653136 0.695736 N\n0.653136 0.846864 0.695736 N\n0.346864 0.153136 0.695736 N\n0.500000 0.000000 0.093674 N\n0.000000 0.500000 0.093674 N\n","nsites":40,"nelements":3,"elements":["Y","Ge","N"],"chemical_system":"Ge-N-Y","density":5.122181583300378,"density_atomic":0.07201814900769599,"volume":555.4155522065074,"volume_molar":8.36197658920179,"formula_full":"Y6 Ge12 N22","formula_reduced":"Y3Ge6N11","formula_anonymous":"A3B6C11","energy":-305.37795042,"energy_per_atom":-7.6344487605,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-297.43595042,"band_gap":2.6735,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013282,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.243000Z","spacegroup":100},{"id":"mp-569710","created_at":"2022-09-04T14:41:31.765405Z","structure_string":"Rb2 Nb6 Cu2 Cl18\n1.0\n9.410444 0.008778 -0.924224\n-3.024721 7.654012 -4.694156\n-0.019980 -0.009637 9.470732\nRb Nb Cu Cl\n2 6 2 18\ndirect\n0.334600 0.475257 0.261230 Rb\n0.665400 0.524743 0.738770 Rb\n0.133205 0.897445 0.342879 Nb\n0.862059 0.749439 0.423224 Nb\n0.859281 0.981775 0.303475 Nb\n0.866795 0.102555 0.657121 Nb\n0.137941 0.250561 0.576776 Nb\n0.140719 0.018225 0.696525 Nb\n0.631839 0.186699 0.054827 Cu\n0.368161 0.813301 0.945173 Cu\n0.676070 0.427351 0.323235 Cl\n0.669748 0.950345 0.047159 Cl\n0.328182 0.319153 0.824377 Cl\n0.671818 0.680847 0.175623 Cl\n0.303238 0.764884 0.147539 Cl\n0.678755 0.098060 0.452304 Cl\n0.323930 0.572649 0.676765 Cl\n0.994806 0.584708 0.228222 Cl\n0.679509 0.823532 0.594632 Cl\n0.696762 0.235116 0.852461 Cl\n0.001417 0.727295 0.642900 Cl\n0.009539 0.142851 0.916998 Cl\n0.998583 0.272705 0.357100 Cl\n0.320491 0.176468 0.405368 Cl\n0.330252 0.049655 0.952841 Cl\n0.005194 0.415292 0.771778 Cl\n0.990461 0.857149 0.083002 Cl\n0.321245 0.901940 0.547696 Cl\n","nsites":28,"nelements":4,"elements":["Rb","Nb","Cu","Cl"],"chemical_system":"Cl-Cu-Nb-Rb","density":3.637675735761122,"density_atomic":0.04106698614453993,"volume":681.812877659218,"volume_molar":14.66418971873025,"formula_full":"Rb2 Nb6 Cu2 Cl18","formula_reduced":"RbNb3CuCl9","formula_anonymous":"ABC3D9","energy":-150.35173914,"energy_per_atom":-5.369704969285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-139.29973914,"band_gap":0.9843000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0045788,"is_theoretical":false,"updated_at":"2021-11-28T01:35:22.765000Z","spacegroup":2},{"id":"mp-849472","created_at":"2022-09-04T14:41:32.247026Z","structure_string":"Li5 Co7 O3 F13\n1.0\n6.038370 0.000000 0.000000\n3.001236 5.300420 0.000000\n3.009381 1.775714 9.988793\nLi Co O F\n5 7 3 13\ndirect\n0.753504 0.735450 0.749902 Li\n0.195349 0.697594 0.434845 Li\n0.804600 0.305537 0.564103 Li\n0.755089 0.250379 0.252737 Li\n0.315895 0.804505 0.064521 Li\n0.680303 0.221657 0.926079 Co\n0.003113 0.484304 0.991853 Co\n0.258518 0.733853 0.752262 Co\n0.238396 0.257851 0.759786 Co\n0.500269 0.994855 0.495214 Co\n0.253010 0.231906 0.258293 Co\n0.735653 0.750308 0.258123 Co\n0.349396 0.398940 0.870221 O\n0.891343 0.390008 0.868210 O\n0.397459 0.894886 0.369377 O\n0.877826 0.870403 0.868846 F\n0.117206 0.634050 0.631886 F\n0.619799 0.640022 0.625370 F\n0.379671 0.874691 0.863899 F\n0.138083 0.105785 0.632109 F\n0.597536 0.118234 0.626385 F\n0.865150 0.890691 0.367843 F\n0.628442 0.126695 0.132276 F\n0.390094 0.362172 0.369694 F\n0.118719 0.133806 0.131788 F\n0.880101 0.376919 0.370144 F\n0.107071 0.604655 0.135248 F\n0.648402 0.609844 0.128988 F\n","nsites":28,"nelements":4,"elements":["Li","Co","O","F"],"chemical_system":"Co-F-Li-O","density":3.8551004023595947,"density_atomic":0.08758203122850788,"volume":319.70028106502764,"volume_molar":6.876000334232712,"formula_full":"Li5 Co7 O3 F13","formula_reduced":"Li5Co7O3F13","formula_anonymous":"A3B5C7D13","energy":-165.09507686,"energy_per_atom":-5.896252745,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-145.56207686,"band_gap":1.6348,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":21.0000998,"is_theoretical":true,"updated_at":"2021-11-28T01:35:20.518000Z","spacegroup":1},{"id":"mp-4870","created_at":"2022-09-04T14:41:32.568598Z","structure_string":"Cu6 B12 O24\n1.0\n-5.795044 5.795044 2.836574\n5.795044 -5.795044 2.836574\n5.795044 5.795044 -2.836574\nCu B O\n6 12 24\ndirect\n0.750000 0.250000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.125000 0.792887 0.167887 Cu\n0.625000 0.957113 0.832113 Cu\n0.207113 0.375000 0.332113 Cu\n0.042887 0.875000 0.667887 Cu\n0.799441 0.262641 0.167476 B\n0.450559 0.118036 0.963200 B\n0.095165 0.631964 0.832524 B\n0.154835 0.487359 0.036800 B\n0.737359 0.904835 0.536800 B\n0.512641 0.549441 0.667476 B\n0.368036 0.200559 0.463200 B\n0.881964 0.845165 0.332524 B\n0.625000 0.375813 0.250813 B\n0.125000 0.374187 0.749187 B\n0.624187 0.875000 0.249187 B\n0.625813 0.375000 0.750813 B\n0.673602 0.084823 0.270255 O\n0.576398 0.346654 0.911221 O\n0.814568 0.403346 0.729745 O\n0.435432 0.665177 0.088779 O\n0.915177 0.185432 0.588779 O\n0.334823 0.423602 0.770255 O\n0.596654 0.326398 0.411221 O\n0.653346 0.564568 0.229745 O\n0.625000 0.122915 0.997915 O\n0.125000 0.627085 0.002085 O\n0.877085 0.875000 0.502085 O\n0.372915 0.375000 0.497915 O\n0.040816 0.375000 0.165816 O\n0.209184 0.875000 0.834184 O\n0.625000 0.790816 0.665816 O\n0.125000 0.959184 0.334184 O\n0.859653 0.473609 0.239551 O\n0.390347 0.129898 0.113956 O\n0.234059 0.620102 0.760449 O\n0.015941 0.276391 0.886044 O\n0.526391 0.765941 0.386044 O\n0.723609 0.609653 0.739551 O\n0.379898 0.140347 0.613956 O\n0.870102 0.984059 0.260449 O\n","nsites":42,"nelements":3,"elements":["Cu","B","O"],"chemical_system":"B-Cu-O","density":3.9003307993909297,"density_atomic":0.11022540562186454,"volume":381.03738210847456,"volume_molar":5.4634779759027134,"formula_full":"Cu6 B12 O24","formula_reduced":"Cu(BO2)2","formula_anonymous":"AB2C4","energy":-319.7944136,"energy_per_atom":-7.614152704761905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-303.3064136,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0009841,"is_theoretical":false,"updated_at":"2021-11-28T01:35:11.586000Z","spacegroup":122},{"id":"mp-1199746","created_at":"2022-09-04T14:41:32.711231Z","structure_string":"Ba3 Mo6 C12 O51\n1.0\n5.472622 -9.478860 0.000000\n5.472622 9.478860 0.000000\n0.000000 0.000000 12.011821\nBa Mo C O\n3 6 12 51\ndirect\n0.195919 0.532185 0.663172 Ba\n0.467815 0.663734 0.996505 Ba\n0.336266 0.804081 0.329839 Ba\n0.926477 0.768616 0.399970 Mo\n0.231384 0.157861 0.733304 Mo\n0.842139 0.073523 0.066637 Mo\n0.746110 0.182542 0.265602 Mo\n0.817458 0.563568 0.598935 Mo\n0.436432 0.253890 0.932269 Mo\n0.567737 0.658012 0.666113 C\n0.341988 0.909725 0.999447 C\n0.090275 0.432263 0.332780 C\n0.097357 0.422212 0.001841 C\n0.577788 0.675145 0.335174 C\n0.324855 0.902643 0.668507 C\n0.756514 0.605915 0.160418 C\n0.394085 0.150599 0.493751 C\n0.849401 0.243486 0.827085 C\n0.911146 0.182476 0.508140 C\n0.817524 0.728670 0.841473 C\n0.271330 0.088854 0.174807 C\n0.662263 0.625325 0.658940 O\n0.374675 0.036938 0.992274 O\n0.963062 0.337737 0.325607 O\n0.005473 0.294452 0.005125 O\n0.705548 0.711021 0.338458 O\n0.288979 0.994527 0.671792 O\n0.984876 0.583525 0.625907 O\n0.416475 0.401351 0.959241 O\n0.598649 0.015124 0.292574 O\n0.673851 0.924661 0.044348 O\n0.075339 0.749190 0.377681 O\n0.250810 0.326149 0.711014 O\n0.704673 0.395865 0.649347 O\n0.604135 0.308808 0.982680 O\n0.691192 0.295327 0.316014 O\n0.953754 0.021383 0.009011 O\n0.978617 0.932371 0.342344 O\n0.067629 0.046246 0.675678 O\n0.793414 0.545225 0.450253 O\n0.454775 0.248189 0.783587 O\n0.751811 0.206586 0.116920 O\n0.873178 0.082009 0.214072 O\n0.917991 0.791169 0.547406 O\n0.208831 0.126822 0.880739 O\n0.895064 0.701701 0.794046 O\n0.298299 0.193363 0.127380 O\n0.806637 0.104936 0.460713 O\n0.771080 0.139646 0.875026 O\n0.860354 0.631434 0.208360 O\n0.368566 0.228920 0.541693 O\n0.925073 0.344957 0.776201 O\n0.655043 0.580116 0.109534 O\n0.419884 0.074927 0.442867 O\n0.741514 0.755106 0.891145 O\n0.244894 0.986409 0.224479 O\n0.013591 0.258486 0.557812 O\n0.480271 0.633102 0.741441 O\n0.366898 0.847169 0.074775 O\n0.152831 0.519729 0.408108 O\n0.188823 0.490433 0.930396 O\n0.509567 0.698390 0.263729 O\n0.301610 0.811177 0.597063 O\n0.252716 0.820989 0.907688 O\n0.179011 0.431727 0.241022 O\n0.568273 0.747284 0.574355 O\n0.417708 0.912172 0.762026 O\n0.087828 0.505536 0.095359 O\n0.494464 0.582292 0.428692 O\n0.449824 0.659664 0.499762 O\n0.340336 0.790160 0.833095 O\n0.209840 0.550176 0.166429 O\n","nsites":72,"nelements":4,"elements":["Ba","Mo","C","O"],"chemical_system":"Ba-C-Mo-O","density":2.5952843352521686,"density_atomic":0.05777528389030872,"volume":1246.20763675862,"volume_molar":10.423385839926889,"formula_full":"Ba3 Mo6 C12 O51","formula_reduced":"BaMo2C4O17","formula_anonymous":"AB2C4D17","energy":-522.83303042,"energy_per_atom":-7.261569866944445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-503.62103042,"band_gap":2.8698,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000124,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.527000Z","spacegroup":144},{"id":"mp-1187415","created_at":"2022-09-04T14:41:32.872983Z","structure_string":"Tc6 Ge2\n1.0\n2.737030 -4.740675 0.000000\n2.737030 4.740675 0.000000\n0.000000 0.000000 4.478654\nTc Ge\n6 2\ndirect\n0.169650 0.339299 0.250000 Tc\n0.660701 0.830350 0.250000 Tc\n0.169650 0.830350 0.250000 Tc\n0.830350 0.660701 0.750000 Tc\n0.339299 0.169650 0.750000 Tc\n0.830350 0.169650 0.750000 Tc\n0.333333 0.666667 0.750000 Ge\n0.666667 0.333333 0.250000 Ge\n","nsites":8,"nelements":2,"elements":["Tc","Ge"],"chemical_system":"Ge-Tc","density":10.476631991428665,"density_atomic":0.0688323724251644,"volume":116.22438277422039,"volume_molar":8.74899491013093,"formula_full":"Tc6 Ge2","formula_reduced":"Tc3Ge","formula_anonymous":"AB3","energy":-70.89942995,"energy_per_atom":-8.86242874375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.89942995,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0301153,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.839000Z","spacegroup":194},{"id":"mp-572271","created_at":"2022-09-04T14:41:31.750285Z","structure_string":"Cs6 P14 Pb4 O42\n1.0\n6.910830 0.000000 0.000000\n3.280136 7.333058 0.000000\n2.730257 0.282872 22.366914\nCs P Pb O\n6 14 4 42\ndirect\n0.302404 0.793989 0.420964 Cs\n0.873251 0.686029 0.763724 Cs\n0.246121 0.792775 0.889459 Cs\n0.697596 0.206011 0.579036 Cs\n0.126749 0.313971 0.236276 Cs\n0.753879 0.207225 0.110541 Cs\n0.958196 0.121087 0.734957 P\n0.197251 0.254076 0.518098 P\n0.041804 0.878913 0.265043 P\n0.012383 0.336566 0.934685 P\n0.364916 0.150754 0.745234 P\n0.802749 0.745924 0.481902 P\n0.987617 0.663434 0.065315 P\n0.726081 0.726673 0.962923 P\n0.962371 0.402440 0.412133 P\n0.635084 0.849246 0.254766 P\n0.535596 0.438059 0.751003 P\n0.037629 0.597560 0.587867 P\n0.273919 0.273327 0.037077 P\n0.464404 0.561941 0.248997 P\n0.410837 0.813212 0.624622 Pb\n0.589163 0.186788 0.375378 Pb\n0.605362 0.169356 0.884979 Pb\n0.394638 0.830644 0.115021 Pb\n0.474136 0.050903 0.688218 O\n0.753601 0.298081 0.714275 O\n0.533840 0.380070 0.280000 O\n0.791001 0.511237 0.952749 O\n0.208999 0.488763 0.047251 O\n0.952361 0.999283 0.318691 O\n0.099797 0.958695 0.207150 O\n0.747566 0.816586 0.903066 O\n0.003022 0.296836 0.476620 O\n0.487235 0.206311 0.000733 O\n0.840297 0.675595 0.630812 O\n0.087295 0.266270 0.001487 O\n0.512765 0.793689 0.999267 O\n0.754784 0.934916 0.457445 O\n0.174019 0.393271 0.899088 O\n0.633428 0.692859 0.514226 O\n0.466160 0.619930 0.720000 O\n0.047639 0.000717 0.681309 O\n0.159703 0.324405 0.369188 O\n0.245310 0.593901 0.603037 O\n0.564346 0.939773 0.196204 O\n0.754690 0.406099 0.396963 O\n0.912705 0.733730 0.998513 O\n0.931002 0.609030 0.426408 O\n0.900203 0.041305 0.792850 O\n0.435654 0.060227 0.803796 O\n0.068998 0.390970 0.573592 O\n0.107653 0.225404 0.746349 O\n0.892347 0.774596 0.253651 O\n0.051865 0.804257 0.087074 O\n0.633889 0.645692 0.259307 O\n0.996978 0.703164 0.523380 O\n0.825981 0.606729 0.100912 O\n0.565171 0.435756 0.816252 O\n0.366572 0.307141 0.485774 O\n0.948135 0.195743 0.912926 O\n0.525864 0.949097 0.311782 O\n0.246399 0.701919 0.285725 O\n0.245216 0.065084 0.542555 O\n0.252434 0.183414 0.096934 O\n0.366111 0.354308 0.740693 O\n0.434829 0.564244 0.183748 O\n","nsites":66,"nelements":4,"elements":["Cs","P","Pb","O"],"chemical_system":"Cs-O-P-Pb","density":4.002054402182541,"density_atomic":0.05822674834810575,"volume":1133.4996693516568,"volume_molar":10.342567515528993,"formula_full":"Cs6 P14 Pb4 O42","formula_reduced":"Cs3P7Pb2O21","formula_anonymous":"A2B3C7D21","energy":-474.13624567,"energy_per_atom":-7.183882510151515,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-445.28224567,"band_gap":4.8215,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0049889,"is_theoretical":false,"updated_at":"2021-11-28T01:35:24.453000Z","spacegroup":2},{"id":"mp-1238805","created_at":"2022-09-04T14:41:31.751500Z","structure_string":"Na2 Cr4 S8\n1.0\n0.000000 5.196641 5.196641\n5.196641 0.000000 5.196641\n5.196641 5.196641 0.000000\nNa Cr S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Na\n0.625000 0.625000 0.625000 Cr\n0.125000 0.625000 0.625000 Cr\n0.625000 0.125000 0.625000 Cr\n0.625000 0.625000 0.125000 Cr\n0.855641 0.855641 0.855641 S\n0.816924 0.394359 0.394359 S\n0.394359 0.394359 0.816924 S\n0.394359 0.816924 0.394359 S\n0.855641 0.855641 0.433076 S\n0.855641 0.433076 0.855641 S\n0.394359 0.394359 0.394359 S\n0.433076 0.855641 0.855641 S\n","nsites":14,"nelements":3,"elements":["Na","Cr","S"],"chemical_system":"Cr-Na-S","density":3.0201814638999975,"density_atomic":0.04988039611102239,"volume":280.6713877900887,"volume_molar":12.073161461260426,"formula_full":"Na2 Cr4 S8","formula_reduced":"Na(CrS2)2","formula_anonymous":"AB2C4","energy":-88.03506558,"energy_per_atom":-6.28821897,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.01106558,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.000106,"is_theoretical":true,"updated_at":"2021-11-28T01:35:19.206000Z","spacegroup":227},{"id":"mp-675015","created_at":"2022-09-04T14:41:31.928953Z","structure_string":"Yb6 U3 O17\n1.0\n2.678630 6.023311 0.000000\n-2.678630 6.023311 0.000000\n0.000000 3.404329 10.582235\nYb U O\n6 3 17\ndirect\n0.009071 0.649720 0.890038 Yb\n0.939519 0.701509 0.554535 Yb\n0.684336 0.323300 0.323370 Yb\n0.350280 0.990929 0.109962 Yb\n0.676700 0.315664 0.676630 Yb\n0.298491 0.060481 0.445465 Yb\n0.008464 0.667244 0.221916 U\n0.679575 0.320425 0.000000 U\n0.332756 0.991536 0.778084 U\n0.733656 0.927221 0.372125 O\n0.449095 0.565858 0.149466 O\n0.770515 0.899387 0.067166 O\n0.278109 0.403187 0.063877 O\n0.100613 0.229485 0.932834 O\n0.434142 0.550905 0.850534 O\n0.705535 0.928393 0.731913 O\n0.254674 0.399619 0.704174 O\n0.072779 0.266344 0.627875 O\n0.916541 0.083459 0.500000 O\n0.230111 0.475108 0.373485 O\n0.071607 0.294465 0.268087 O\n0.600381 0.745326 0.295826 O\n0.933164 0.068472 0.155667 O\n0.596813 0.721891 0.936123 O\n0.931528 0.066836 0.844333 O\n0.524892 0.769889 0.626515 O\n","nsites":26,"nelements":3,"elements":["Yb","U","O"],"chemical_system":"O-U-Yb","density":9.844011343509147,"density_atomic":0.0761408874790703,"volume":341.4722478398602,"volume_molar":7.909207469712477,"formula_full":"Yb6 U3 O17","formula_reduced":"Yb6U3O17","formula_anonymous":"A3B6C17","energy":-215.57547257,"energy_per_atom":-8.291364329615384,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-203.89647257,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9164255,"is_theoretical":true,"updated_at":"2021-11-28T01:35:19.852000Z","spacegroup":5},{"id":"mp-1198335","created_at":"2022-09-04T14:41:32.016360Z","structure_string":"Nd12 Fe26 Ge2\n1.0\n8.021829 0.000000 0.000000\n0.000000 8.021829 0.000000\n-4.010915 -4.010915 11.546620\nNd Fe Ge\n12 26 2\ndirect\n0.391630 0.391630 0.783260 Nd\n0.891630 0.891630 0.783260 Nd\n0.608370 0.608370 0.216740 Nd\n0.108370 0.108370 0.216740 Nd\n0.977252 0.477252 0.622571 Nd\n0.645319 0.145319 0.622571 Nd\n0.145319 0.977252 0.622571 Nd\n0.477252 0.645319 0.622571 Nd\n0.022748 0.522748 0.377429 Nd\n0.354681 0.854681 0.377429 Nd\n0.854681 0.022748 0.377429 Nd\n0.522748 0.354681 0.377429 Nd\n0.708984 0.565099 0.000000 Fe\n0.291016 0.434901 0.000000 Fe\n0.791016 0.065099 0.000000 Fe\n0.208984 0.934901 0.000000 Fe\n0.565099 0.291016 0.000000 Fe\n0.434901 0.708984 0.000000 Fe\n0.065099 0.208984 0.000000 Fe\n0.934901 0.791016 0.000000 Fe\n0.118970 0.618970 0.879302 Fe\n0.760333 0.260333 0.879302 Fe\n0.260333 0.118970 0.879302 Fe\n0.618970 0.760333 0.879302 Fe\n0.881030 0.381030 0.120698 Fe\n0.239667 0.739667 0.120698 Fe\n0.739667 0.881030 0.120698 Fe\n0.381030 0.239667 0.120698 Fe\n0.291288 0.791288 0.809346 Fe\n0.518058 0.018058 0.809346 Fe\n0.018058 0.291288 0.809346 Fe\n0.791288 0.518058 0.809346 Fe\n0.708712 0.208712 0.190654 Fe\n0.481942 0.981942 0.190654 Fe\n0.981942 0.708712 0.190654 Fe\n0.208712 0.481942 0.190654 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.250000 0.250000 0.500000 Ge\n0.750000 0.750000 0.500000 Ge\n","nsites":40,"nelements":3,"elements":["Nd","Fe","Ge"],"chemical_system":"Fe-Ge-Nd","density":7.437908610190021,"density_atomic":0.05383420674170664,"volume":743.0220007126259,"volume_molar":11.186457690170634,"formula_full":"Nd12 Fe26 Ge2","formula_reduced":"Nd6Fe13Ge","formula_anonymous":"AB6C13","energy":-290.109032,"energy_per_atom":-7.2527258,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-290.109032,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":53.6045654,"is_theoretical":false,"updated_at":"2021-11-28T01:35:28.569000Z","spacegroup":140},{"id":"mp-1174128","created_at":"2022-09-04T14:41:32.083880Z","structure_string":"Li5 Co3 O8\n1.0\n2.987653 0.000000 0.000000\n0.098363 5.024967 0.000000\n0.311684 2.190021 9.477651\nLi Co O\n5 3 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.494324 0.746637 0.250670 Li\n0.000000 0.500000 0.500000 Li\n0.505676 0.253363 0.749330 Li\n0.500000 0.500000 0.000000 Li\n0.001193 0.743908 0.760026 Co\n0.998807 0.256092 0.239974 Co\n0.500000 0.000000 0.500000 Co\n0.529501 0.868133 0.865741 O\n0.000254 0.587576 0.139448 O\n0.533780 0.354239 0.375770 O\n0.990847 0.091394 0.628601 O\n0.470499 0.131867 0.134259 O\n0.009153 0.908606 0.371399 O\n0.466220 0.645761 0.624230 O\n0.999746 0.412424 0.860552 O\n","nsites":16,"nelements":3,"elements":["Li","Co","O"],"chemical_system":"Co-Li-O","density":3.962091670480224,"density_atomic":0.11244907858495898,"volume":142.28662610082193,"volume_molar":5.355438066528997,"formula_full":"Li5 Co3 O8","formula_reduced":"Li5Co3O8","formula_anonymous":"A3B5C8","energy":-97.09892301,"energy_per_atom":-6.068682688125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.68892301,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.520257,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.366000Z","spacegroup":2},{"id":"mp-1235287","created_at":"2022-09-04T14:41:29.451724Z","structure_string":"Ba2 Li1 Mn2 P4 O14\n1.0\n5.425234 0.115062 -0.147218\n-0.352730 8.431789 -2.187814\n-0.105902 -0.721731 7.701798\nBa Li Mn P O\n2 1 2 4 14\ndirect\n0.189767 0.762025 0.951361 Ba\n0.818210 0.249872 0.009971 Ba\n0.802642 0.035984 0.338653 Li\n0.196447 0.604345 0.409993 Mn\n0.802054 0.376130 0.578151 Mn\n0.690778 0.712526 0.232288 P\n0.313003 0.307321 0.773661 P\n0.717430 0.790699 0.632496 P\n0.284322 0.201605 0.367804 P\n0.557973 0.223977 0.329162 O\n0.448518 0.734018 0.635859 O\n0.808246 0.935779 0.794616 O\n0.146540 0.052198 0.232981 O\n0.134454 0.357167 0.386203 O\n0.897146 0.646777 0.600505 O\n0.731886 0.842075 0.445918 O\n0.291332 0.172503 0.564641 O\n0.093056 0.421431 0.795648 O\n0.907231 0.596132 0.200719 O\n0.558953 0.402610 0.790004 O\n0.437756 0.627446 0.213625 O\n0.309034 0.209448 0.903037 O\n0.700723 0.827217 0.121038 O\n","nsites":23,"nelements":5,"elements":["Ba","Li","Mn","P","O"],"chemical_system":"Ba-Li-Mn-O-P","density":3.569839073608042,"density_atomic":0.06687637969681097,"volume":343.9181382765067,"volume_molar":9.004884515731597,"formula_full":"Ba2 Li1 Mn2 P4 O14","formula_reduced":"Ba2LiMn2(P2O7)2","formula_anonymous":"AB2C2D4E14","energy":-178.24410616,"energy_per_atom":-7.749743746086956,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-165.29010616,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.0876996,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.268000Z","spacegroup":1}]}