{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=10154","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=10152","results":[{"id":"mp-978798","created_at":"2022-09-04T14:47:21.559857Z","structure_string":"Sm3 I1\n1.0\n-2.432221 2.432221 5.423760\n2.432221 -2.432221 5.423760\n2.432221 2.432221 -5.423760\nSm I\n3 1\ndirect\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 I\n","nsites":4,"nelements":2,"elements":["Sm","I"],"chemical_system":"I-Sm","density":7.478228721486027,"density_atomic":0.031166890011302066,"volume":128.3413262776452,"volume_molar":19.322238304226655,"formula_full":"Sm3 I1","formula_reduced":"Sm3I","formula_anonymous":"AB3","energy":-16.45361364,"energy_per_atom":-4.11340341,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.07461364,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1544693,"is_theoretical":true,"updated_at":"2021-11-28T01:38:03.587000Z","spacegroup":139},{"id":"mp-1068244","created_at":"2022-09-04T14:47:21.565849Z","structure_string":"Er2 Al1 Ni2\n1.0\n-2.062713 2.675788 4.115674\n2.062713 -2.675788 4.115674\n2.062713 2.675788 -4.115674\nEr Al Ni\n2 1 2\ndirect\n0.703193 0.203193 0.500000 Er\n0.296807 0.796807 0.500000 Er\n0.000000 0.000000 0.000000 Al\n0.270070 0.500000 0.770070 Ni\n0.729930 0.500000 0.229930 Ni\n","nsites":5,"nelements":3,"elements":["Er","Al","Ni"],"chemical_system":"Al-Er-Ni","density":8.751652791699708,"density_atomic":0.055027342361187864,"volume":90.86391937995215,"volume_molar":10.943906250227274,"formula_full":"Er2 Al1 Ni2","formula_reduced":"Er2AlNi2","formula_anonymous":"AB2C2","energy":-27.30599452,"energy_per_atom":-5.461198904,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.30599452,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023108,"is_theoretical":false,"updated_at":"2021-11-28T01:38:07.431000Z","spacegroup":71},{"id":"mp-1104214","created_at":"2022-09-04T14:47:21.571894Z","structure_string":"Ce1 Mn4 Co8\n1.0\n0.000000 0.000000 4.557716\n-4.193482 4.193482 2.278858\n-4.193482 -4.193482 2.278858\nCe Mn Co\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.357515 0.642485 Co\n0.000000 0.642485 0.357515 Co\n0.642485 0.357515 0.357515 Co\n0.357515 0.642485 0.642485 Co\n0.500000 0.772079 0.227921 Co\n0.500000 0.227921 0.772079 Co\n0.727921 0.772079 0.772079 Co\n0.272079 0.227921 0.227921 Co\n","nsites":13,"nelements":3,"elements":["Ce","Mn","Co"],"chemical_system":"Ce-Co-Mn","density":8.611874302295327,"density_atomic":0.0810991925528045,"volume":160.29752690244814,"volume_molar":7.425648234510996,"formula_full":"Ce1 Mn4 Co8","formula_reduced":"Ce(MnCo2)4","formula_anonymous":"AB4C8","energy":-99.29242645,"energy_per_atom":-7.637878957692307,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-99.29242645,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.9349073,"is_theoretical":false,"updated_at":"2021-11-28T01:38:07.219000Z","spacegroup":139},{"id":"mp-763546","created_at":"2022-09-04T14:47:21.574951Z","structure_string":"Mn4 Sb8 O24\n1.0\n-4.799036 4.798686 -0.000075\n-4.793025 -4.792674 -0.000105\n-0.002827 4.795708 9.542360\nMn Sb O\n4 8 24\ndirect\n0.333407 0.666604 0.333434 Mn\n0.083180 0.416969 0.833310 Mn\n0.833470 0.166550 0.333329 Mn\n0.583116 0.917004 0.833397 Mn\n0.999457 0.000509 0.000970 Sb\n0.499482 0.500489 0.000924 Sb\n0.667082 0.332916 0.665736 Sb\n0.167074 0.832925 0.665752 Sb\n0.417192 0.082775 0.165705 Sb\n0.917208 0.582759 0.165672 Sb\n0.249509 0.250462 0.501008 Sb\n0.749537 0.750439 0.500961 Sb\n0.397963 0.416616 0.833324 O\n0.898046 0.916611 0.833315 O\n0.333377 0.351813 0.333307 O\n0.833375 0.851904 0.333313 O\n0.333368 0.981349 0.333311 O\n0.833365 0.481266 0.333317 O\n0.768524 0.416621 0.833326 O\n0.268448 0.916616 0.833317 O\n0.720540 0.078674 0.157392 O\n0.220665 0.578728 0.157494 O\n0.544632 0.254623 0.509291 O\n0.044739 0.754549 0.509139 O\n0.495337 0.205563 0.009372 O\n0.995265 0.705648 0.009516 O\n0.171431 0.529541 0.657180 O\n0.671393 0.029408 0.657254 O\n0.495377 0.803838 0.009278 O\n0.995304 0.303894 0.009423 O\n0.171388 0.127779 0.657274 O\n0.671353 0.627980 0.657344 O\n0.122173 0.078649 0.157331 O\n0.621945 0.578700 0.157435 O\n0.946117 0.254652 0.509349 O\n0.446163 0.754577 0.509197 O\n","nsites":36,"nelements":3,"elements":["Mn","Sb","O"],"chemical_system":"Mn-O-Sb","density":5.968825348254846,"density_atomic":0.08201351562490747,"volume":438.95204010821374,"volume_molar":7.342863812280079,"formula_full":"Mn4 Sb8 O24","formula_reduced":"Mn(SbO3)2","formula_anonymous":"AB2C6","energy":-259.15246903,"energy_per_atom":-7.198679695277779,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-235.99246903,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0309884,"is_theoretical":true,"updated_at":"2021-11-28T01:38:07.257000Z","spacegroup":136},{"id":"mp-1175809","created_at":"2022-09-04T14:47:21.583301Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n5.909227 0.000000 0.000000\n-1.458821 -6.320795 0.000000\n-1.091747 0.110752 -7.660570\nLi Mn Co O\n9 2 5 16\ndirect\n0.130684 0.133039 0.386484 Li\n0.610695 0.615454 0.860850 Li\n0.368914 0.867148 0.620095 Li\n0.875243 0.378708 0.128633 Li\n0.627111 0.136492 0.382410 Li\n0.123866 0.617296 0.868997 Li\n0.877605 0.871684 0.622174 Li\n0.384668 0.380721 0.131862 Li\n0.497064 0.497539 0.500546 Li\n0.001978 0.000858 0.999503 Mn\n0.253776 0.749241 0.253033 Mn\n0.742479 0.251102 0.741648 Co\n0.502476 0.000764 0.999519 Co\n0.995895 0.501181 0.505481 Co\n0.751264 0.748732 0.255100 Co\n0.250528 0.249431 0.745243 Co\n0.820358 0.041422 0.180962 O\n0.297749 0.536120 0.686507 O\n0.079122 0.807993 0.429826 O\n0.575422 0.291377 0.938871 O\n0.297021 0.048816 0.167779 O\n0.822267 0.556939 0.685976 O\n0.542608 0.810571 0.407963 O\n0.063191 0.289800 0.927996 O\n0.432697 0.187404 0.581228 O\n0.958638 0.709644 0.080482 O\n0.708549 0.943254 0.837903 O\n0.181105 0.459780 0.311612 O\n0.918357 0.188999 0.564124 O\n0.425971 0.708517 0.063860 O\n0.182827 0.955105 0.820658 O\n0.699872 0.464871 0.312676 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.1958969221831595,"density_atomic":0.11183725892370601,"volume":286.1300456391729,"volume_molar":5.3847356578260115,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-206.26296071,"energy_per_atom":-6.4457175221875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-183.74496071,"band_gap":1.2481999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0016032,"is_theoretical":true,"updated_at":"2021-11-28T01:38:07.373000Z","spacegroup":1},{"id":"mp-1248272","created_at":"2022-09-04T14:47:21.592822Z","structure_string":"Ca2 Al4 Si4 H8 O20\n1.0\n2.948122 5.286702 0.000000\n-2.948122 5.286702 0.000000\n0.000000 0.000000 13.883236\nCa Al Si H O\n2 4 4 8 20\ndirect\n0.133325 0.133325 0.250000 Ca\n0.866675 0.866675 0.750000 Ca\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.786935 0.786935 0.350338 Si\n0.213065 0.213065 0.649662 Si\n0.786935 0.786935 0.149662 Si\n0.213065 0.213065 0.850338 Si\n0.547656 0.547656 0.304836 H\n0.452344 0.452344 0.695164 H\n0.547656 0.547656 0.195164 H\n0.452344 0.452344 0.804836 H\n0.413766 0.413766 0.420311 H\n0.586234 0.586234 0.579689 H\n0.413766 0.413766 0.079689 H\n0.586234 0.586234 0.920311 H\n0.874979 0.874979 0.250000 O\n0.125021 0.125021 0.750000 O\n0.937563 0.470734 0.361132 O\n0.529266 0.062437 0.638868 O\n0.937563 0.470734 0.138868 O\n0.529266 0.062437 0.861132 O\n0.062437 0.529266 0.638868 O\n0.470734 0.937563 0.361132 O\n0.062437 0.529266 0.861132 O\n0.470734 0.937563 0.138868 O\n0.859475 0.859475 0.456313 O\n0.140525 0.140525 0.543687 O\n0.859475 0.859475 0.043687 O\n0.140525 0.140525 0.956313 O\n0.357301 0.357301 0.475073 O\n0.642699 0.642699 0.524927 O\n0.357301 0.357301 0.024927 O\n0.642699 0.642699 0.975073 O\n0.489117 0.489117 0.250000 O\n0.510883 0.510883 0.750000 O\n","nsites":38,"nelements":5,"elements":["Ca","Al","Si","H","O"],"chemical_system":"Al-Ca-H-O-Si","density":2.4114962211183117,"density_atomic":0.08780770214810477,"volume":432.7638586408469,"volume_molar":6.858328612041899,"formula_full":"Ca2 Al4 Si4 H8 O20","formula_reduced":"CaAl2Si2(H2O5)2","formula_anonymous":"AB2C2D4E10","energy":-264.76765613,"energy_per_atom":-6.967569898157894,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-251.02765613,"band_gap":4.169700000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0044428,"is_theoretical":true,"updated_at":"2021-11-28T01:38:01.578000Z","spacegroup":63},{"id":"mp-1220286","created_at":"2022-09-04T14:47:21.595092Z","structure_string":"Nd3 Gd1 Al4 O12\n1.0\n7.548968 0.000000 0.000000\n0.000000 5.324204 0.000000\n0.000000 0.008283 5.361874\nNd Gd Al O\n3 1 4 12\ndirect\n0.000000 0.512146 0.493228 Nd\n0.000000 0.011929 0.005782 Nd\n0.500000 0.488156 0.505454 Nd\n0.500000 0.986268 0.992704 Gd\n0.250934 0.000094 0.499485 Al\n0.748852 0.499941 0.000490 Al\n0.749066 0.000094 0.499485 Al\n0.251148 0.499941 0.000490 Al\n0.215595 0.761766 0.239340 O\n0.784883 0.262755 0.262139 O\n0.711935 0.235228 0.763792 O\n0.287030 0.739988 0.740791 O\n0.288065 0.235228 0.763792 O\n0.712970 0.739988 0.740791 O\n0.784405 0.761766 0.239340 O\n0.215117 0.262755 0.262139 O\n0.000000 0.997912 0.564790 O\n0.000000 0.497545 0.934392 O\n0.500000 0.002235 0.426484 O\n0.500000 0.504267 0.065092 O\n","nsites":20,"nelements":4,"elements":["Nd","Gd","Al","O"],"chemical_system":"Al-Gd-Nd-O","density":6.856918158000896,"density_atomic":0.0928049454317738,"volume":215.50575679938459,"volume_molar":6.4890300101811045,"formula_full":"Nd3 Gd1 Al4 O12","formula_reduced":"Nd3GdAl4O12","formula_anonymous":"AB3C4D12","energy":-176.1922742,"energy_per_atom":-8.80961371,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-167.94827419999996,"band_gap":2.9123,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.003374,"is_theoretical":true,"updated_at":"2021-11-28T01:38:06.809000Z","spacegroup":6},{"id":"mp-979260","created_at":"2022-09-04T14:47:21.573106Z","structure_string":"Sc6 Ga16 Ru7\n1.0\n0.000000 6.217073 6.217073\n6.217073 0.000000 6.217073\n6.217073 6.217073 0.000000\nSc Ga Ru\n6 16 7\ndirect\n0.720173 0.279827 0.279827 Sc\n0.279827 0.720173 0.720173 Sc\n0.279827 0.720173 0.279827 Sc\n0.279827 0.279827 0.720173 Sc\n0.720173 0.279827 0.720173 Sc\n0.720173 0.720173 0.279827 Sc\n0.344247 0.344247 0.967258 Ga\n0.344247 0.344247 0.344247 Ga\n0.967258 0.344247 0.344247 Ga\n0.344247 0.967258 0.344247 Ga\n0.655753 0.655753 0.655753 Ga\n0.655753 0.655753 0.032742 Ga\n0.655753 0.032742 0.655753 Ga\n0.032742 0.655753 0.655753 Ga\n0.123541 0.123541 0.123541 Ga\n0.123541 0.123541 0.629377 Ga\n0.629377 0.123541 0.123541 Ga\n0.123541 0.629377 0.123541 Ga\n0.876459 0.876459 0.876459 Ga\n0.876459 0.876459 0.370623 Ga\n0.876459 0.370623 0.876459 Ga\n0.370623 0.876459 0.876459 Ga\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.000000 0.000000 0.000000 Ru\n","nsites":29,"nelements":3,"elements":["Sc","Ga","Ru"],"chemical_system":"Ga-Ru-Sc","density":7.230820378109782,"density_atomic":0.060340666340092206,"volume":480.6045700017652,"volume_molar":9.980235760172079,"formula_full":"Sc6 Ga16 Ru7","formula_reduced":"Sc6Ga16Ru7","formula_anonymous":"A6B7C16","energy":-166.40030557,"energy_per_atom":-5.73794157137931,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-166.40030557,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007517,"is_theoretical":false,"updated_at":"2021-11-28T01:38:09.042000Z","spacegroup":225},{"id":"mp-755372","created_at":"2022-09-04T14:47:21.576747Z","structure_string":"Li4 Mn2 O4\n1.0\n-2.172298 4.205778 -0.268789\n-0.510393 0.988080 4.608865\n3.386685 4.413019 -0.134438\nLi Mn O\n4 2 4\ndirect\n0.973661 0.249999 0.552691 Li\n0.473656 0.749999 0.552699 Li\n0.526339 0.250000 0.447309 Li\n0.026344 0.750000 0.447301 Li\n0.750001 0.749999 0.999998 Mn\n0.250000 0.250003 0.000002 Mn\n0.146543 0.499993 0.706963 O\n0.646519 0.000013 0.706963 O\n0.353457 0.000006 0.293037 O\n0.853480 0.499987 0.293037 O\n","nsites":10,"nelements":3,"elements":["Li","Mn","O"],"chemical_system":"Li-Mn-O","density":3.0074052925868826,"density_atomic":0.08981960664489844,"volume":111.33426624250285,"volume_molar":6.704706227236685,"formula_full":"Li4 Mn2 O4","formula_reduced":"Li2MnO2","formula_anonymous":"AB2C2","energy":-65.53456629,"energy_per_atom":-6.553456629,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.45056629,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:38:06.707000Z","spacegroup":71},{"id":"mp-1225385","created_at":"2022-09-04T14:47:21.577685Z","structure_string":"Dy5 Sc5 Si20 Ir8\n1.0\n8.855334 -8.869063 0.000000\n8.855334 8.869063 0.000000\n0.000000 0.000000 4.185191\nDy Sc Si Ir\n5 5 20 8\ndirect\n0.384877 0.615123 0.500000 Dy\n0.884853 0.884795 0.500000 Dy\n0.115205 0.115147 0.500000 Dy\n0.500031 0.000241 0.000000 Dy\n0.999759 0.499969 0.000000 Dy\n0.825744 0.174256 0.500000 Sc\n0.173898 0.826102 0.500000 Sc\n0.673893 0.673215 0.500000 Sc\n0.326785 0.326107 0.500000 Sc\n0.615218 0.384782 0.500000 Sc\n0.932946 0.067054 0.000000 Si\n0.066979 0.933021 0.000000 Si\n0.567211 0.565755 0.000000 Si\n0.434245 0.432789 0.000000 Si\n0.300385 0.166196 0.000000 Si\n0.699959 0.834001 0.000000 Si\n0.200043 0.665783 0.000000 Si\n0.798791 0.334605 0.000000 Si\n0.334217 0.799957 0.000000 Si\n0.665395 0.201209 0.000000 Si\n0.833804 0.699615 0.000000 Si\n0.165999 0.300041 0.000000 Si\n0.495816 0.157792 0.500000 Si\n0.504751 0.843252 0.500000 Si\n0.004826 0.656717 0.500000 Si\n0.995196 0.343346 0.500000 Si\n0.343283 0.995174 0.500000 Si\n0.656654 0.004804 0.500000 Si\n0.842208 0.504184 0.500000 Si\n0.156748 0.495249 0.500000 Si\n0.480734 0.247485 0.000000 Ir\n0.520714 0.753253 0.000000 Ir\n0.020443 0.745996 0.000000 Ir\n0.979168 0.254046 0.000000 Ir\n0.254004 0.979557 0.000000 Ir\n0.745954 0.020832 0.000000 Ir\n0.752515 0.519266 0.000000 Ir\n0.246747 0.479286 0.000000 Ir\n","nsites":38,"nelements":4,"elements":["Dy","Sc","Si","Ir"],"chemical_system":"Dy-Ir-Sc-Si","density":7.923145945804177,"density_atomic":0.05780369916192206,"volume":657.3973733679719,"volume_molar":10.418261888621583,"formula_full":"Dy5 Sc5 Si20 Ir8","formula_reduced":"Dy5Sc5(Si5Ir2)4","formula_anonymous":"A5B5C8D20","energy":-266.58127889,"energy_per_atom":-7.0152968128947375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-268.00127889,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0107422,"is_theoretical":true,"updated_at":"2021-11-28T01:38:03.250000Z","spacegroup":38},{"id":"mp-1087554","created_at":"2022-09-04T14:47:21.584269Z","structure_string":"Ce12 Se24\n1.0\n0.000000 -0.000000 -11.401723\n-15.277494 8.820465 3.800574\n15.277494 8.820465 3.800574\nCe Se\n12 24\ndirect\n0.198604 0.841319 0.433277 Ce\n0.765327 0.566723 0.408042 Ce\n0.357285 0.591958 0.158681 Ce\n0.357285 0.158681 0.591958 Ce\n0.765327 0.408042 0.566723 Ce\n0.198604 0.433277 0.841319 Ce\n0.801331 0.158619 0.566648 Ce\n0.234682 0.433352 0.591970 Ce\n0.642712 0.408030 0.841381 Ce\n0.642712 0.841381 0.408030 Ce\n0.234682 0.591970 0.433352 Ce\n0.801331 0.566648 0.158619 Ce\n0.736038 0.472199 0.236110 Se\n0.499928 0.763890 0.236089 Se\n0.263838 0.763911 0.527801 Se\n0.263838 0.527801 0.763911 Se\n0.499928 0.236089 0.763890 Se\n0.736038 0.236110 0.472199 Se\n0.832634 1.000000 0.480316 Se\n0.352318 0.519684 0.519684 Se\n0.832634 0.480316 1.000000 Se\n0.167572 0.000000 0.519652 Se\n0.647920 0.480348 0.480348 Se\n0.167572 0.519652 0.000000 Se\n0.553335 0.553329 0.106738 Se\n0.446597 0.893262 0.446592 Se\n0.000005 0.553408 0.446671 Se\n0.000005 0.446671 0.553408 Se\n0.446597 0.446592 0.893262 Se\n0.553335 0.106738 0.553329 Se\n-0.000008 0.719250 0.280734 Se\n0.719258 0.719266 0.438517 Se\n0.280741 0.561483 0.280750 Se\n0.280741 0.280750 0.561483 Se\n0.719258 0.438517 0.719266 Se\n-0.000008 0.280734 0.719250 Se\n","nsites":36,"nelements":2,"elements":["Ce","Se"],"chemical_system":"Ce-Se","density":1.9326578951669098,"density_atomic":0.011715434937030311,"volume":3072.8692697708298,"volume_molar":51.40347577677319,"formula_full":"Ce12 Se24","formula_reduced":"CeSe2","formula_anonymous":"AB2","energy":-204.46408635,"energy_per_atom":-5.6795579541666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-193.13608635,"band_gap":0.4851000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:38:03.295000Z","spacegroup":166},{"id":"mp-774321","created_at":"2022-09-04T14:47:21.586769Z","structure_string":"Li4 Cr4 P16 O48\n1.0\n4.673359 -5.753725 0.000000\n4.673359 5.753725 0.000000\n0.000000 0.000000 18.098873\nLi Cr P O\n4 4 16 48\ndirect\n0.202250 0.101095 0.642870 Li\n0.898905 0.797750 0.857130 Li\n0.797750 0.898905 0.142870 Li\n0.101095 0.202250 0.357130 Li\n0.565059 0.955779 0.884286 Cr\n0.044221 0.434941 0.615714 Cr\n0.955779 0.565059 0.115714 Cr\n0.434941 0.044221 0.384286 Cr\n0.044280 0.767819 0.346084 P\n0.232181 0.955720 0.153916 P\n0.290221 0.775129 0.013037 P\n0.224871 0.709779 0.486963 P\n0.378604 0.621396 0.750000 P\n0.663044 0.762777 0.309026 P\n0.237223 0.336956 0.190974 P\n0.364504 0.364504 0.500000 P\n0.635496 0.635496 0.000000 P\n0.336956 0.237223 0.809026 P\n0.762777 0.663044 0.690974 P\n0.621396 0.378604 0.250000 P\n0.709779 0.224871 0.513037 P\n0.775129 0.290221 0.986963 P\n0.767819 0.044280 0.653916 P\n0.955720 0.232181 0.846084 P\n0.039500 0.833983 0.146567 O\n0.166017 0.960500 0.353433 O\n0.049136 0.650064 0.281736 O\n0.349936 0.950864 0.218264 O\n0.334941 0.903147 0.479042 O\n0.096853 0.665059 0.020958 O\n0.084023 0.653542 0.420873 O\n0.346458 0.915977 0.079127 O\n0.126890 0.671101 0.559893 O\n0.328899 0.873110 0.940107 O\n0.418640 0.790389 0.798196 O\n0.209611 0.581360 0.701804 O\n0.508590 0.816651 0.353074 O\n0.183349 0.491410 0.146926 O\n0.428236 0.632299 0.022278 O\n0.367701 0.571764 0.477722 O\n0.802801 0.839760 0.635048 O\n0.160240 0.197199 0.864952 O\n0.541632 0.610431 0.691872 O\n0.389569 0.458368 0.808128 O\n0.248614 0.315263 0.568879 O\n0.684737 0.751386 0.931121 O\n0.157496 0.289536 0.264901 O\n0.710464 0.842504 0.235099 O\n0.289536 0.157496 0.735099 O\n0.842504 0.710464 0.764901 O\n0.315263 0.248614 0.431121 O\n0.751386 0.684737 0.068879 O\n0.610431 0.541632 0.308128 O\n0.458368 0.389569 0.191872 O\n0.197199 0.160240 0.135048 O\n0.839760 0.802801 0.364952 O\n0.632299 0.428236 0.977722 O\n0.571764 0.367701 0.522278 O\n0.491410 0.183349 0.853074 O\n0.816651 0.508590 0.646926 O\n0.790389 0.418640 0.201804 O\n0.581360 0.209611 0.298196 O\n0.671101 0.126890 0.440107 O\n0.873110 0.328899 0.059893 O\n0.653542 0.084023 0.579127 O\n0.915977 0.346458 0.920873 O\n0.665059 0.096853 0.979042 O\n0.903147 0.334941 0.520958 O\n0.650064 0.049136 0.718264 O\n0.950864 0.349936 0.781736 O\n0.960500 0.166017 0.646567 O\n0.833983 0.039500 0.853433 O\n","nsites":72,"nelements":4,"elements":["Li","Cr","P","O"],"chemical_system":"Cr-Li-O-P","density":2.557866092859983,"density_atomic":0.07397291332689816,"volume":973.3292466368123,"volume_molar":8.141007957043946,"formula_full":"Li4 Cr4 P16 O48","formula_reduced":"LiCr(PO3)4","formula_anonymous":"ABC4D12","energy":-554.79941518,"energy_per_atom":-7.705547433055555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-513.82741518,"band_gap":1.0811,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0001135,"is_theoretical":true,"updated_at":"2021-11-28T01:38:06.085000Z","spacegroup":20}]}