{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=10161","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=10159","results":[{"id":"mp-1340255","created_at":"2022-09-04T14:42:16.557705Z","structure_string":"Zn4 Fe8 O16\n1.0\n5.769485 0.000000 0.000000\n0.000000 4.977232 0.000000\n0.000000 0.173014 10.215596\nZn Fe O\n4 8 16\ndirect\n0.752246 0.648550 0.747583 Zn\n0.252246 0.351450 0.252417 Zn\n0.749015 0.974933 0.248635 Zn\n0.249015 0.025067 0.751365 Zn\n0.249275 0.988507 0.490103 Fe\n0.251414 0.988018 0.016170 Fe\n0.749275 0.011493 0.509897 Fe\n0.751414 0.011982 0.983830 Fe\n0.500226 0.499934 0.500008 Fe\n0.999181 0.499168 0.998706 Fe\n0.000226 0.500066 0.499992 Fe\n0.499181 0.500832 0.001294 Fe\n0.247497 0.647715 0.396022 O\n0.251615 0.642024 0.102160 O\n0.747497 0.352285 0.603978 O\n0.751615 0.357976 0.897840 O\n0.251718 0.305383 0.596853 O\n0.246856 0.311747 0.906670 O\n0.751718 0.694617 0.403147 O\n0.746856 0.688253 0.093330 O\n0.503008 0.829352 0.608502 O\n0.003037 0.822628 0.880362 O\n0.003008 0.170648 0.391498 O\n0.503037 0.177372 0.119638 O\n0.497404 0.168623 0.392332 O\n0.995879 0.165356 0.110656 O\n0.997404 0.831377 0.607668 O\n0.495879 0.834644 0.889344 O\n","nsites":28,"nelements":3,"elements":["Zn","Fe","O"],"chemical_system":"Fe-O-Zn","density":5.458980363022997,"density_atomic":0.095448561756959,"volume":293.35172248374465,"volume_molar":6.309304874948453,"formula_full":"Zn4 Fe8 O16","formula_reduced":"Zn(FeO2)2","formula_anonymous":"AB2C4","energy":-193.96252644,"energy_per_atom":-6.927233087142858,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-164.92252644,"band_gap":1.2082000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":40.0010037,"is_theoretical":true,"updated_at":"2021-11-28T01:35:40.507000Z","spacegroup":4},{"id":"mp-1367805","created_at":"2022-09-04T14:42:18.522614Z","structure_string":"Li14 Fe2 O8 F4\n1.0\n-5.527047 0.000000 0.000000\n2.718498 5.230871 0.000000\n-0.296193 -2.830578 -9.528787\nLi Fe O F\n14 2 8 4\ndirect\n0.024248 0.928164 0.773271 Li\n0.496763 0.395259 0.248555 Li\n0.534995 0.056898 0.617972 Li\n0.968019 0.442175 0.880940 Li\n0.023571 0.738398 0.557809 Li\n0.536423 0.330985 0.043681 Li\n0.985717 0.656405 0.323574 Li\n0.467734 0.721659 0.942448 Li\n0.967861 0.212189 0.459442 Li\n0.008788 0.524722 0.121574 Li\n0.495466 0.995216 0.385134 Li\n0.437683 0.531494 0.731565 Li\n0.027422 0.120116 0.249885 Li\n0.521034 0.851130 0.175742 Li\n0.060818 0.982422 0.023369 Fe\n0.495951 0.545372 0.456077 Fe\n0.301193 0.052834 0.196689 O\n0.168406 0.773788 0.961203 O\n0.675727 0.328364 0.446416 O\n0.735281 0.670562 0.111662 O\n0.242849 0.325138 0.900235 O\n0.330941 0.690065 0.536343 O\n0.214464 0.462997 0.298100 O\n0.786532 0.876753 0.380303 O\n0.207212 0.098834 0.611094 F\n0.798727 0.569375 0.708338 F\n0.805533 0.204854 0.066026 F\n0.680647 0.913833 0.792552 F\n","nsites":28,"nelements":4,"elements":["Li","Fe","O","F"],"chemical_system":"F-Fe-Li-O","density":2.4885109643294085,"density_atomic":0.10163732928910546,"volume":275.4893324710897,"volume_molar":5.925126921497647,"formula_full":"Li14 Fe2 O8 F4","formula_reduced":"Li7Fe(O2F)2","formula_anonymous":"AB2C4D7","energy":-136.73003233,"energy_per_atom":-4.883215440357143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-124.87403233000002,"band_gap":0.0079,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.8842546,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.078000Z","spacegroup":1},{"id":"mp-778965","created_at":"2022-09-04T14:42:16.709212Z","structure_string":"Li8 Mn12 B12 O36\n1.0\n6.348222 0.000000 0.000000\n-0.000671 8.232265 0.000000\n-3.147410 -0.002565 14.386489\nLi Mn B O\n8 12 12 36\ndirect\n0.253329 0.708911 0.010646 Li\n0.754451 0.710759 0.009231 Li\n0.572939 0.656984 0.639320 Li\n0.924573 0.630388 0.350462 Li\n0.007512 0.210662 0.510600 Li\n0.505950 0.207909 0.510053 Li\n0.319323 0.158596 0.140482 Li\n0.673704 0.129579 0.850527 Li\n0.248107 0.857906 0.494209 Mn\n0.745351 0.857671 0.494148 Mn\n0.097929 0.828072 0.190103 Mn\n0.595297 0.830493 0.188988 Mn\n0.402415 0.813417 0.815712 Mn\n0.911783 0.814750 0.817025 Mn\n0.498083 0.356497 0.994700 Mn\n0.999882 0.358310 0.993437 Mn\n0.341493 0.329861 0.688545 Mn\n0.851830 0.328911 0.690410 Mn\n0.158135 0.313785 0.316110 Mn\n0.660041 0.313205 0.315888 Mn\n0.999758 0.996102 0.000368 B\n0.499154 0.993823 0.000206 B\n0.078278 0.004128 0.663080 B\n0.583056 0.001044 0.665825 B\n0.919622 0.997072 0.334957 B\n0.416503 0.006241 0.335645 B\n0.252314 0.495469 0.500953 B\n0.751854 0.494636 0.500993 B\n0.670212 0.500529 0.832893 B\n0.169598 0.501103 0.837773 B\n0.330708 0.504318 0.164050 B\n0.835314 0.502249 0.165251 B\n0.533622 0.987600 0.570361 O\n0.033972 0.978488 0.568095 O\n0.369836 0.986403 0.238593 O\n0.874173 0.975189 0.239470 O\n0.947404 0.860402 0.392127 O\n0.446289 0.874922 0.393125 O\n0.109855 0.880231 0.726393 O\n0.608606 0.862314 0.720334 O\n0.023016 0.844785 0.044508 O\n0.519520 0.842343 0.044136 O\n0.188124 0.659124 0.873267 O\n0.686422 0.655222 0.870243 O\n0.350377 0.659661 0.200366 O\n0.852373 0.658388 0.202585 O\n0.295261 0.634737 0.552196 O\n0.761920 0.634141 0.552063 O\n0.181851 0.501687 0.405678 O\n0.723170 0.500783 0.405736 O\n0.785776 0.480946 0.069801 O\n0.280810 0.485272 0.068587 O\n0.117347 0.477421 0.742158 O\n0.624970 0.480394 0.735600 O\n0.201672 0.368801 0.895860 O\n0.697619 0.364022 0.889038 O\n0.360774 0.366836 0.220038 O\n0.868958 0.374767 0.227085 O\n0.278690 0.343696 0.544762 O\n0.771145 0.342748 0.545580 O\n0.936883 0.152107 0.372835 O\n0.432011 0.164707 0.371596 O\n0.092339 0.164574 0.694109 O\n0.607556 0.153416 0.708131 O\n0.043571 0.135891 0.051587 O\n0.507474 0.133144 0.051875 O\n0.471520 0.001512 0.904920 O\n0.932293 0.004058 0.905061 O\n","nsites":68,"nelements":4,"elements":["Li","Mn","B","O"],"chemical_system":"B-Li-Mn-O","density":3.137346761543544,"density_atomic":0.09044460092116002,"volume":751.8414510919802,"volume_molar":6.658375070115531,"formula_full":"Li8 Mn12 B12 O36","formula_reduced":"Li2Mn3(BO3)3","formula_anonymous":"A2B3C3D9","energy":-548.59273804,"energy_per_atom":-8.067540265294117,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-503.84473804,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":56.0000003,"is_theoretical":true,"updated_at":"2021-11-28T01:35:38.692000Z","spacegroup":1},{"id":"mp-1176772","created_at":"2022-09-04T14:42:16.812268Z","structure_string":"Li8 Fe8 P16 O56\n1.0\n9.686908 0.000000 0.000000\n-0.051128 9.774721 0.000000\n-2.192453 -0.057508 10.992147\nLi Fe P O\n8 8 16 56\ndirect\n0.882033 0.701631 0.544314 Li\n0.595467 0.612253 0.026473 Li\n0.601096 0.969762 0.497333 Li\n0.406129 0.398261 0.967590 Li\n0.348155 0.104154 0.951127 Li\n0.076942 0.900075 0.020886 Li\n0.164935 0.573871 0.531931 Li\n0.113605 0.286394 0.453910 Li\n0.794873 0.917773 0.325556 Fe\n0.757717 0.202239 0.171510 Fe\n0.762012 0.720946 0.830073 Fe\n0.706082 0.422409 0.668818 Fe\n0.295200 0.584638 0.317949 Fe\n0.247748 0.288250 0.175894 Fe\n0.251760 0.788910 0.826883 Fe\n0.205887 0.075824 0.666361 Fe\n0.981713 0.447980 0.251636 P\n0.888714 0.711230 0.118699 P\n0.932845 0.917440 0.755624 P\n0.874770 0.145339 0.578870 P\n0.620478 0.641458 0.424156 P\n0.561869 0.422777 0.233457 P\n0.480930 0.052933 0.251676 P\n0.617742 0.213105 0.882414 P\n0.386010 0.793434 0.114816 P\n0.524879 0.944976 0.754741 P\n0.441590 0.579553 0.762913 P\n0.379443 0.354927 0.578915 P\n0.124268 0.853714 0.428686 P\n0.070160 0.073184 0.239955 P\n0.107315 0.281861 0.884828 P\n0.026353 0.551537 0.759033 P\n0.988533 0.430846 0.385606 O\n0.966411 0.837635 0.433443 O\n0.914547 0.077712 0.261214 O\n0.898328 0.585997 0.213235 O\n0.903299 0.337656 0.166520 O\n0.814427 0.820268 0.182306 O\n0.786365 0.661632 0.999916 O\n0.965989 0.253070 0.907382 O\n0.879032 0.062954 0.706169 O\n0.912744 0.895714 0.885623 O\n0.870690 0.541896 0.778390 O\n0.816526 0.284487 0.601762 O\n0.838680 0.805771 0.682535 O\n0.787357 0.057118 0.478599 O\n0.714287 0.572367 0.532108 O\n0.655851 0.301346 0.280475 O\n0.680445 0.785566 0.405989 O\n0.634243 0.034078 0.224185 O\n0.632939 0.556253 0.303488 O\n0.556457 0.444722 0.100266 O\n0.528204 0.764270 0.091516 O\n0.714505 0.169744 0.002719 O\n0.677316 0.328949 0.816962 O\n0.609772 0.085256 0.790039 O\n0.593504 0.589447 0.737072 O\n0.602716 0.837620 0.843408 O\n0.531689 0.350879 0.565269 O\n0.478328 0.076934 0.382044 O\n0.522153 0.918082 0.624164 O\n0.464517 0.646454 0.428817 O\n0.398353 0.154885 0.157165 O\n0.409016 0.412944 0.263467 O\n0.396392 0.911642 0.215679 O\n0.313585 0.676999 0.171808 O\n0.283381 0.851903 0.998027 O\n0.470059 0.237160 0.902906 O\n0.435576 0.572680 0.896311 O\n0.374566 0.439101 0.703190 O\n0.371515 0.965216 0.785750 O\n0.314612 0.215513 0.598972 O\n0.338435 0.692617 0.704792 O\n0.280329 0.432159 0.477426 O\n0.205918 0.931875 0.537089 O\n0.157183 0.196655 0.302886 O\n0.183915 0.711525 0.408105 O\n0.135574 0.462220 0.221916 O\n0.089853 0.068139 0.110580 O\n0.133591 0.937421 0.307601 O\n0.032152 0.746802 0.100697 O\n0.221105 0.326070 0.001752 O\n0.183587 0.169618 0.822367 O\n0.108221 0.657126 0.849040 O\n0.105467 0.409611 0.789871 O\n0.091334 0.913308 0.742567 O\n0.030602 0.157896 0.565309 O\n0.031154 0.583147 0.627958 O\n","nsites":88,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":3.0214754470853653,"density_atomic":0.08454941347558644,"volume":1040.8114779579153,"volume_molar":7.122628664643413,"formula_full":"Li8 Fe8 P16 O56","formula_reduced":"LiFeP2O7","formula_anonymous":"ABC2D7","energy":-662.146472,"energy_per_atom":-7.524391727272728,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-605.626472,"band_gap":1.6172,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":39.9970749,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.117000Z","spacegroup":1},{"id":"mp-27396","created_at":"2022-09-04T14:42:16.824744Z","structure_string":"Ni1 Cl2\n1.0\n6.502982 -1.732438 0.000000\n6.502982 1.732438 0.000000\n6.041450 0.000000 2.964963\nNi Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.732846 0.732846 0.732846 Cl\n0.267154 0.267154 0.267154 Cl\n","nsites":3,"nelements":2,"elements":["Ni","Cl"],"chemical_system":"Cl-Ni","density":3.22131030208897,"density_atomic":0.04490572659484962,"volume":66.80662417661625,"volume_molar":13.410629816400073,"formula_full":"Ni1 Cl2","formula_reduced":"NiCl2","formula_anonymous":"AB2","energy":-12.58696329,"energy_per_atom":-4.19565443,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.35896329,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.00054,"is_theoretical":false,"updated_at":"2021-11-28T01:35:45.350000Z","spacegroup":166},{"id":"mp-1209463","created_at":"2022-09-04T14:42:16.574285Z","structure_string":"Rb4 Eu8 Cl20\n1.0\n7.978021 0.000000 0.000000\n0.000000 8.996351 0.000000\n0.000000 0.058438 12.833041\nRb Eu Cl\n4 8 20\ndirect\n0.462981 0.495905 0.829243 Rb\n0.537019 0.504095 0.170757 Rb\n0.962981 0.504095 0.670757 Rb\n0.037019 0.495905 0.329243 Rb\n0.478950 0.999388 0.822017 Eu\n0.521050 0.000612 0.177983 Eu\n0.978950 0.000612 0.677983 Eu\n0.021050 0.999388 0.322017 Eu\n0.432816 0.755080 0.506024 Eu\n0.567184 0.244920 0.493976 Eu\n0.932816 0.244920 0.993976 Eu\n0.067184 0.755080 0.006024 Eu\n0.338093 0.467241 0.584222 Cl\n0.661907 0.532759 0.415778 Cl\n0.838093 0.532759 0.915778 Cl\n0.161907 0.467241 0.084222 Cl\n0.666263 0.790632 0.682403 Cl\n0.333737 0.209368 0.317597 Cl\n0.166263 0.209368 0.817597 Cl\n0.833737 0.790632 0.182403 Cl\n0.194143 0.779731 0.787129 Cl\n0.805857 0.220269 0.212871 Cl\n0.694143 0.220269 0.712871 Cl\n0.305857 0.779731 0.287129 Cl\n0.052259 0.790665 0.503873 Cl\n0.947741 0.209335 0.496127 Cl\n0.552259 0.209335 0.996127 Cl\n0.447741 0.790665 0.003873 Cl\n0.840868 0.960192 0.897700 Cl\n0.159132 0.039808 0.102300 Cl\n0.340868 0.039808 0.602300 Cl\n0.659132 0.960192 0.397700 Cl\n","nsites":32,"nelements":3,"elements":["Rb","Eu","Cl"],"chemical_system":"Cl-Eu-Rb","density":4.086402213490378,"density_atomic":0.03474232110655113,"volume":921.0668424213594,"volume_molar":17.333731795094266,"formula_full":"Rb4 Eu8 Cl20","formula_reduced":"RbEu2Cl5","formula_anonymous":"AB2C5","energy":-208.65037314,"energy_per_atom":-6.520324160625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-196.37037314,"band_gap":1.0639000000000003,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":56.0000002,"is_theoretical":true,"updated_at":"2021-11-28T01:35:41.018000Z","spacegroup":14},{"id":"mp-1520277","created_at":"2022-09-04T14:42:20.297612Z","structure_string":"Sr2 Eu1 Nb1 O6\n1.0\n0.000000 -4.262661 -4.262661\n4.262661 0.000000 -4.262661\n4.262661 -4.262661 0.000000\nSr Eu Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Nb\n0.735212 0.264788 0.264788 O\n0.264788 0.735212 0.735212 O\n0.735212 0.264788 0.735212 O\n0.264788 0.735212 0.264788 O\n0.735212 0.735212 0.264788 O\n0.264788 0.264788 0.735212 O\n","nsites":10,"nelements":4,"elements":["Sr","Eu","Nb","O"],"chemical_system":"Eu-Nb-O-Sr","density":5.532434482587848,"density_atomic":0.06455466291517323,"volume":154.90747760762537,"volume_molar":9.328746349296681,"formula_full":"Sr2 Eu1 Nb1 O6","formula_reduced":"Sr2EuNbO6","formula_anonymous":"ABC2D6","energy":-84.86518423999999,"energy_per_atom":-8.486518424,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.74318424,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.510000Z","spacegroup":225},{"id":"mp-1077362","created_at":"2022-09-04T14:42:21.646908Z","structure_string":"Y1 Mn1 Ni4\n1.0\n0.000000 3.472464 3.472464\n3.472464 0.000000 3.472464\n3.472464 3.472464 0.000000\nY Mn Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Mn\n0.624224 0.624224 0.127327 Ni\n0.624224 0.127327 0.624224 Ni\n0.127327 0.624224 0.624224 Ni\n0.624224 0.624224 0.624224 Ni\n","nsites":6,"nelements":3,"elements":["Y","Mn","Ni"],"chemical_system":"Mn-Ni-Y","density":7.507693315314844,"density_atomic":0.07164864784184602,"volume":83.74198509990207,"volume_molar":8.405100363223882,"formula_full":"Y1 Mn1 Ni4","formula_reduced":"YMnNi4","formula_anonymous":"ABC4","energy":-40.34630911,"energy_per_atom":-6.724384851666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.34630911,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.4438717,"is_theoretical":false,"updated_at":"2021-11-28T01:35:43.382000Z","spacegroup":216},{"id":"mp-1232321","created_at":"2022-09-04T14:42:18.444464Z","structure_string":"Mg1 Cu2 O3\n1.0\n4.226549 0.000000 0.000000\n0.000000 4.226549 0.000000\n0.000000 0.000000 3.854370\nMg Cu O\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n","nsites":6,"nelements":3,"elements":["Mg","Cu","O"],"chemical_system":"Cu-Mg-O","density":4.808820628052112,"density_atomic":0.08714170066800757,"volume":68.85337277107774,"volume_molar":6.910745043803024,"formula_full":"Mg1 Cu2 O3","formula_reduced":"MgCu2O3","formula_anonymous":"AB2C3","energy":-33.14341727,"energy_per_atom":-5.523902878333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.08241727,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.29901,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.488000Z","spacegroup":123},{"id":"mp-558974","created_at":"2022-09-04T14:42:18.447414Z","structure_string":"Pr5 Ru2 O12\n1.0\n3.013408 6.456404 0.000000\n-3.013408 6.456404 0.000000\n0.000000 2.322574 7.387286\nPr Ru O\n5 2 12\ndirect\n0.306616 0.306616 0.357590 Pr\n0.693384 0.693384 0.642410 Pr\n0.690653 0.690653 0.167204 Pr\n0.309347 0.309347 0.832796 Pr\n0.000000 0.000000 0.500000 Pr\n0.765119 0.234881 0.000000 Ru\n0.234881 0.765119 0.000000 Ru\n0.095513 0.594889 0.577914 O\n0.999122 0.999122 0.185113 O\n0.405111 0.904487 0.422086 O\n0.499821 0.499821 0.171006 O\n0.096008 0.586027 0.078487 O\n0.904487 0.405111 0.422086 O\n0.000878 0.000878 0.814887 O\n0.594889 0.095512 0.577914 O\n0.500179 0.500179 0.828994 O\n0.586027 0.096008 0.078487 O\n0.413973 0.903992 0.921513 O\n0.903992 0.413973 0.921513 O\n","nsites":19,"nelements":3,"elements":["Pr","Ru","O"],"chemical_system":"O-Pr-Ru","density":6.346776936146283,"density_atomic":0.0660982646084153,"volume":287.4508145192819,"volume_molar":9.110890876904037,"formula_full":"Pr5 Ru2 O12","formula_reduced":"Pr5(RuO6)2","formula_anonymous":"A2B5C12","energy":-159.25595263000002,"energy_per_atom":-8.381892243684211,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-151.01195263,"band_gap":0.1921999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.001313,"is_theoretical":false,"updated_at":"2021-11-28T01:35:32.699000Z","spacegroup":12},{"id":"mp-1324516","created_at":"2022-09-04T14:42:22.603315Z","structure_string":"Ca12 Ti8 Ge12 O48\n1.0\n-6.268500 6.268500 6.268500\n6.268500 -6.268500 6.268500\n6.268500 6.268500 -6.268500\nCa Ti Ge O\n12 8 12 48\ndirect\n0.250000 0.875000 0.625000 Ca\n0.750000 0.625000 0.875000 Ca\n0.625000 0.875000 0.750000 Ca\n0.875000 0.625000 0.250000 Ca\n0.625000 0.250000 0.875000 Ca\n0.875000 0.750000 0.625000 Ca\n0.750000 0.125000 0.375000 Ca\n0.250000 0.375000 0.125000 Ca\n0.375000 0.125000 0.250000 Ca\n0.125000 0.375000 0.750000 Ca\n0.375000 0.750000 0.125000 Ca\n0.125000 0.250000 0.375000 Ca\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.750000 0.875000 0.125000 Ge\n0.875000 0.125000 0.750000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.875000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.625000 0.750000 0.375000 Ge\n0.375000 0.250000 0.625000 Ge\n0.415732 0.814444 0.797258 O\n0.881526 0.398711 0.084268 O\n0.101289 0.982815 0.685556 O\n0.517185 0.618474 0.702741 O\n0.685556 0.084268 0.702742 O\n0.618474 0.702741 0.517185 O\n0.618474 0.415732 0.101289 O\n0.702742 0.517185 0.618474 O\n0.814444 0.517185 0.398711 O\n0.982815 0.797258 0.881526 O\n0.797259 0.881526 0.982815 O\n0.702742 0.685556 0.084268 O\n0.415732 0.101289 0.618474 O\n0.398711 0.814444 0.517185 O\n0.084268 0.702742 0.685556 O\n0.101289 0.618474 0.415732 O\n0.517185 0.398711 0.814444 O\n0.084268 0.881526 0.398711 O\n0.982815 0.685556 0.101289 O\n0.185556 0.482815 0.601289 O\n0.685556 0.101289 0.982815 O\n0.797259 0.415732 0.814444 O\n0.398711 0.084268 0.881526 O\n0.881526 0.982815 0.797259 O\n0.584268 0.185556 0.202741 O\n0.118474 0.601289 0.915732 O\n0.898711 0.017185 0.314444 O\n0.482815 0.381526 0.297259 O\n0.314444 0.915732 0.297259 O\n0.381526 0.297259 0.482815 O\n0.381526 0.584268 0.898711 O\n0.297259 0.482815 0.381526 O\n0.118474 0.017185 0.202741 O\n0.601289 0.915732 0.118474 O\n0.202741 0.584268 0.185556 O\n0.185556 0.202741 0.584268 O\n0.314444 0.898711 0.017185 O\n0.017185 0.314444 0.898711 O\n0.915732 0.118474 0.601289 O\n0.482815 0.601289 0.185556 O\n0.898711 0.381526 0.584268 O\n0.915732 0.297259 0.314444 O\n0.601289 0.185556 0.482815 O\n0.584268 0.898711 0.381526 O\n0.297259 0.314444 0.915732 O\n0.202742 0.118474 0.017185 O\n0.017185 0.202742 0.118474 O\n0.814444 0.797259 0.415732 O\n","nsites":80,"nelements":4,"elements":["Ca","Ti","Ge","O"],"chemical_system":"Ca-Ge-O-Ti","density":4.219391618738849,"density_atomic":0.08119683575016418,"volume":985.2600690765003,"volume_molar":7.4167185264825095,"formula_full":"Ca12 Ti8 Ge12 O48","formula_reduced":"Ca3Ti2(GeO4)3","formula_anonymous":"A2B3C3D12","energy":-612.23007886,"energy_per_atom":-7.652875985750001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-579.25407886,"band_gap":0.0072,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0028382,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.011000Z","spacegroup":230},{"id":"mp-771820","created_at":"2022-09-04T14:42:16.595604Z","structure_string":"Li4 Ti2 Fe6 O16\n1.0\n2.967555 -5.139956 0.000000\n2.967555 5.139956 0.000000\n0.000000 0.000000 9.585736\nLi Ti Fe O\n4 2 6 16\ndirect\n0.333333 0.666667 0.895645 Li\n0.000000 0.000000 0.994631 Li\n0.000000 0.000000 0.494631 Li\n0.666667 0.333333 0.395645 Li\n0.333333 0.666667 0.494800 Ti\n0.666667 0.333333 0.994800 Ti\n0.170884 0.829116 0.215158 Fe\n0.170884 0.341768 0.215158 Fe\n0.658232 0.829116 0.215158 Fe\n0.341768 0.170884 0.715158 Fe\n0.829116 0.658232 0.715158 Fe\n0.829116 0.170884 0.715158 Fe\n0.168487 0.831513 0.595007 O\n0.038514 0.519257 0.342941 O\n0.333333 0.666667 0.104339 O\n0.000000 0.000000 0.306303 O\n0.000000 0.000000 0.806303 O\n0.168487 0.336975 0.595007 O\n0.480743 0.961486 0.342941 O\n0.480743 0.519257 0.342941 O\n0.336975 0.168487 0.095007 O\n0.663025 0.831513 0.595007 O\n0.519257 0.480743 0.842941 O\n0.519257 0.038514 0.842941 O\n0.666667 0.333333 0.604339 O\n0.831513 0.663025 0.095007 O\n0.961486 0.480743 0.842941 O\n0.831513 0.168487 0.095007 O\n","nsites":28,"nelements":4,"elements":["Li","Ti","Fe","O"],"chemical_system":"Fe-Li-O-Ti","density":4.057636968686601,"density_atomic":0.09575123707620485,"volume":292.4244203520404,"volume_molar":6.289360789362128,"formula_full":"Li4 Ti2 Fe6 O16","formula_reduced":"Li2TiFe3O8","formula_anonymous":"AB2C3D8","energy":-213.28516185,"energy_per_atom":-7.617327208928572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-188.75716185,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":28.0078973,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.690000Z","spacegroup":186}]}