{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=69","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=67","results":[{"id":"mp-543103","created_at":"2022-09-04T14:41:01.619055Z","structure_string":"Ni4 Ge12 O32\n1.0\n8.120418 0.000000 0.000000\n0.000000 8.120418 0.000000\n0.000000 0.000000 8.120418\nNi Ge O\n4 12 32\ndirect\n0.125000 0.875000 0.375000 Ni\n0.375000 0.125000 0.875000 Ni\n0.625000 0.625000 0.625000 Ni\n0.875000 0.375000 0.125000 Ni\n0.127998 0.122002 0.625000 Ge\n0.125000 0.372002 0.877998 Ge\n0.122002 0.625000 0.127998 Ge\n0.377998 0.375000 0.627998 Ge\n0.375000 0.627998 0.377998 Ge\n0.372002 0.877998 0.125000 Ge\n0.627998 0.377998 0.375000 Ge\n0.625000 0.127998 0.122002 Ge\n0.622002 0.875000 0.872002 Ge\n0.877998 0.125000 0.372002 Ge\n0.875000 0.872002 0.622002 Ge\n0.872002 0.622002 0.875000 Ge\n0.115480 0.107951 0.387079 O\n0.112921 0.884520 0.607951 O\n0.111451 0.611451 0.888549 O\n0.142049 0.134520 0.862921 O\n0.107951 0.387079 0.115480 O\n0.138549 0.361451 0.638549 O\n0.137079 0.642049 0.365480 O\n0.134520 0.862921 0.142049 O\n0.365480 0.137079 0.642049 O\n0.362921 0.357951 0.865480 O\n0.361451 0.638549 0.138549 O\n0.392049 0.612921 0.615480 O\n0.357951 0.865480 0.362921 O\n0.388549 0.388549 0.388549 O\n0.387079 0.115480 0.107951 O\n0.384520 0.892049 0.887079 O\n0.615480 0.392049 0.612921 O\n0.612921 0.615480 0.392049 O\n0.611451 0.888549 0.111451 O\n0.642049 0.365480 0.137079 O\n0.607951 0.112921 0.884520 O\n0.638549 0.138549 0.361451 O\n0.637079 0.857951 0.634520 O\n0.634520 0.637079 0.857951 O\n0.865480 0.362921 0.357951 O\n0.862921 0.142049 0.134520 O\n0.861451 0.861451 0.861451 O\n0.892049 0.887079 0.384520 O\n0.857951 0.634520 0.637079 O\n0.888549 0.111451 0.611451 O\n0.887079 0.384520 0.892049 O\n0.884520 0.607951 0.112921 O\n","nsites":48,"nelements":3,"elements":["Ni","Ge","O"],"chemical_system":"Ge-Ni-O","density":5.018905779399434,"density_atomic":0.0896408738968945,"volume":535.4700139939499,"volume_molar":6.718074577147367,"formula_full":"Ni4 Ge12 O32","formula_reduced":"NiGe3O8","formula_anonymous":"AB3C8","energy":-315.16111564000005,"energy_per_atom":-6.565856575833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-283.01311564,"band_gap":1.7038000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.83e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.894000Z","spacegroup":212},{"id":"mp-29286","created_at":"2022-09-04T14:41:01.636094Z","structure_string":"Tl4 Sb4 F16\n1.0\n7.107682 0.000000 0.000000\n0.000000 7.678940 0.000000\n0.000000 1.209699 8.396508\nTl Sb F\n4 4 16\ndirect\n0.249009 0.875208 0.954411 Tl\n0.749009 0.124792 0.545589 Tl\n0.750991 0.124792 0.045589 Tl\n0.250991 0.875208 0.454411 Tl\n0.799982 0.627475 0.785036 Sb\n0.299982 0.372525 0.714964 Sb\n0.200018 0.372525 0.214964 Sb\n0.700018 0.627475 0.285036 Sb\n0.660051 0.408227 0.687168 F\n0.160051 0.591773 0.812832 F\n0.339949 0.591773 0.312832 F\n0.839949 0.408227 0.187168 F\n0.888879 0.882560 0.802576 F\n0.388879 0.117440 0.697424 F\n0.111121 0.117440 0.197424 F\n0.611121 0.882560 0.302576 F\n0.937914 0.748954 0.207093 F\n0.437914 0.251046 0.292907 F\n0.062086 0.251046 0.792907 F\n0.562086 0.748954 0.707093 F\n0.604907 0.682820 0.062074 F\n0.104907 0.317180 0.437926 F\n0.395093 0.317180 0.937926 F\n0.895093 0.682820 0.562074 F\n","nsites":24,"nelements":3,"elements":["Tl","Sb","F"],"chemical_system":"F-Sb-Tl","density":5.828476622808098,"density_atomic":0.052370084218316355,"volume":458.27690289652116,"volume_molar":11.499200067915426,"formula_full":"Tl4 Sb4 F16","formula_reduced":"TlSbF4","formula_anonymous":"ABC4","energy":-116.6189027,"energy_per_atom":-4.859120945833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-109.2269027,"band_gap":3.8641,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002657,"is_theoretical":false,"updated_at":"2021-11-28T01:35:01.912000Z","spacegroup":14},{"id":"mp-1218368","created_at":"2022-09-04T14:41:01.657719Z","structure_string":"Sr2 Ca2 Pb2 O8\n1.0\n3.487001 0.000000 0.000000\n0.000000 6.065720 0.000000\n0.000000 0.070962 10.086515\nSr Ca Pb O\n2 2 2 8\ndirect\n0.500000 0.423912 0.184540 Sr\n0.500000 0.576088 0.815460 Sr\n0.500000 0.926053 0.321312 Ca\n0.500000 0.073947 0.678688 Ca\n0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.000000 0.122093 0.201928 O\n0.000000 0.877907 0.798072 O\n0.000000 0.649492 0.306485 O\n0.000000 0.350508 0.693515 O\n0.500000 0.263628 0.450083 O\n0.500000 0.736372 0.549917 O\n0.500000 0.768937 0.048278 O\n0.500000 0.231063 0.951722 O\n","nsites":14,"nelements":4,"elements":["Sr","Ca","Pb","O"],"chemical_system":"Ca-O-Pb-Sr","density":6.2095877610739585,"density_atomic":0.06562245384551366,"volume":213.34161067732038,"volume_molar":9.176951496171016,"formula_full":"Sr2 Ca2 Pb2 O8","formula_reduced":"SrCaPbO4","formula_anonymous":"ABCD4","energy":-89.41341165,"energy_per_atom":-6.386672260714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.91741165,"band_gap":1.8976,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.67e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.120000Z","spacegroup":10},{"id":"mp-1238864","created_at":"2022-09-04T14:41:01.661239Z","structure_string":"Ti4 Cr4 Cu4 S16\n1.0\n6.256545 -0.014396 0.553503\n-0.069042 7.216699 1.122379\n-0.048287 -0.088004 12.386664\nTi Cr Cu S\n4 4 4 16\ndirect\n0.856569 0.299267 0.295794 Ti\n0.236788 0.885548 0.000248 Ti\n0.763684 0.109002 0.998346 Ti\n0.629740 0.444147 0.706237 Ti\n0.148058 0.701866 0.709370 Cr\n0.365584 0.557264 0.289622 Cr\n0.366906 0.043912 0.295201 Cr\n0.622809 0.949967 0.704664 Cr\n0.132973 0.199722 0.701935 Cu\n0.875690 0.802558 0.298666 Cu\n0.250795 0.377231 0.997289 Cu\n0.750251 0.631486 0.002933 Cu\n0.104672 0.653332 0.892419 S\n0.893698 0.345926 0.109400 S\n0.098446 0.147247 0.892054 S\n0.902660 0.853481 0.109177 S\n0.199651 0.778483 0.364491 S\n0.806676 0.215763 0.630192 S\n0.194696 0.287657 0.360435 S\n0.819418 0.717973 0.639010 S\n0.308694 0.963287 0.633504 S\n0.685122 0.029572 0.369006 S\n0.306847 0.467996 0.633240 S\n0.682167 0.541654 0.361665 S\n0.404901 0.093447 0.109230 S\n0.591775 0.903760 0.892565 S\n0.396837 0.603378 0.108993 S\n0.603891 0.395074 0.894314 S\n","nsites":28,"nelements":4,"elements":["Ti","Cr","Cu","S"],"chemical_system":"Cr-Cu-S-Ti","density":3.458988520567775,"density_atomic":0.0499928207537148,"volume":560.0804191053655,"volume_molar":12.046011145615374,"formula_full":"Ti4 Cr4 Cu4 S16","formula_reduced":"TiCrCuS4","formula_anonymous":"ABCD4","energy":-179.59054831,"energy_per_atom":-6.413948153928572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-171.54254831,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0029293,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.642000Z","spacegroup":1},{"id":"mp-865343","created_at":"2022-09-04T14:41:01.669491Z","structure_string":"Tm2 Ir1 Os1\n1.0\n0.000000 3.371640 3.371640\n3.371640 0.000000 3.371640\n3.371640 3.371640 0.000000\nTm Ir Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750000 0.750000 0.750000 Tm\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Os\n","nsites":4,"nelements":3,"elements":["Tm","Ir","Os"],"chemical_system":"Ir-Os-Tm","density":15.603363325370546,"density_atomic":0.05218027974871099,"volume":76.6573122885339,"volume_molar":11.541028122120721,"formula_full":"Tm2 Ir1 Os1","formula_reduced":"Tm2IrOs","formula_anonymous":"ABC2","energy":-31.28255449,"energy_per_atom":-7.8206386225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.28255449,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0102873,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.758000Z","spacegroup":225},{"id":"mp-1185646","created_at":"2022-09-04T14:41:01.671849Z","structure_string":"Mg16 Al12 Br1\n1.0\n-5.296390 5.296390 5.296390\n5.296390 -5.296390 5.296390\n5.296390 5.296390 -5.296390\nMg Al Br\n16 12 1\ndirect\n0.591005 0.310668 0.000000 Mg\n0.316726 0.000000 0.000000 Mg\n0.310668 0.591005 0.000000 Mg\n0.000000 0.316726 0.000000 Mg\n0.408995 0.408995 0.719664 Mg\n0.280336 0.689332 0.689332 Mg\n0.689332 0.280336 0.689332 Mg\n0.683274 0.683274 0.683274 Mg\n0.000000 0.310668 0.591005 Mg\n0.310668 0.000000 0.591005 Mg\n0.719664 0.408995 0.408995 Mg\n0.408995 0.719664 0.408995 Mg\n0.000000 0.000000 0.316726 Mg\n0.000000 0.591005 0.310668 Mg\n0.591005 0.000000 0.310668 Mg\n0.689332 0.689332 0.280336 Mg\n0.811630 0.621756 0.000000 Al\n0.621756 0.811630 0.000000 Al\n0.000000 0.621756 0.811630 Al\n0.621756 0.000000 0.811630 Al\n0.188370 0.188370 0.810126 Al\n0.000000 0.811630 0.621756 Al\n0.811630 0.000000 0.621756 Al\n0.189874 0.378244 0.378244 Al\n0.378244 0.189874 0.378244 Al\n0.378244 0.378244 0.189874 Al\n0.810126 0.188370 0.188370 Al\n0.188370 0.810126 0.188370 Al\n0.000000 0.000000 0.000000 Br\n","nsites":29,"nelements":3,"elements":["Mg","Al","Br"],"chemical_system":"Al-Br-Mg","density":2.2145359513927607,"density_atomic":0.04879756327038186,"volume":594.2919698533764,"volume_molar":12.341068603430031,"formula_full":"Mg16 Al12 Br1","formula_reduced":"Mg16Al12Br","formula_anonymous":"AB12C16","energy":-72.91166446000001,"energy_per_atom":-2.514195326206897,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.37766446,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.014651,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.204000Z","spacegroup":217},{"id":"mp-8658","created_at":"2022-09-04T14:41:01.747622Z","structure_string":"Cs2 Na2 Se2\n1.0\n5.038300 0.000000 0.000000\n0.000000 5.038300 0.000000\n0.000000 0.000000 8.229744\nCs Na Se\n2 2 2\ndirect\n0.500000 0.000000 0.653420 Cs\n0.000000 0.500000 0.346580 Cs\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.804330 Se\n0.500000 0.000000 0.195670 Se\n","nsites":6,"nelements":3,"elements":["Cs","Na","Se"],"chemical_system":"Cs-Na-Se","density":3.733575515092975,"density_atomic":0.028720822792162162,"volume":208.90766408117614,"volume_molar":20.967855982327315,"formula_full":"Cs2 Na2 Se2","formula_reduced":"CsNaSe","formula_anonymous":"ABC","energy":-18.89432359,"energy_per_atom":-3.1490539316666664,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.95032359,"band_gap":2.027,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004805,"is_theoretical":false,"updated_at":"2021-11-28T01:35:21.930000Z","spacegroup":129},{"id":"mp-1233486","created_at":"2022-09-04T14:41:01.637795Z","structure_string":"Ba4 Mg1 Rh4 O12\n1.0\n5.839550 0.000000 0.000000\n-2.919775 5.057199 0.000000\n0.000000 0.000000 10.211051\nBa Mg Rh O\n4 1 4 12\ndirect\n0.666667 0.333333 0.750387 Ba\n0.333333 0.666667 0.250299 Ba\n0.000000 0.000000 0.446706 Ba\n0.000000 0.000000 0.055500 Ba\n0.000000 0.000000 0.751577 Mg\n0.333333 0.666667 0.891616 Rh\n0.666667 0.333333 0.383576 Rh\n0.666667 0.333333 0.116963 Rh\n0.333333 0.666667 0.608418 Rh\n0.184277 0.368554 0.749915 O\n0.819362 0.180638 0.250389 O\n0.361278 0.180638 0.250389 O\n0.631446 0.815723 0.749915 O\n0.184277 0.815723 0.749915 O\n0.819362 0.638722 0.250389 O\n0.503909 0.007819 0.504829 O\n0.504030 0.495970 0.995269 O\n0.504030 0.008060 0.995269 O\n0.503909 0.496091 0.504829 O\n0.992181 0.496091 0.504829 O\n0.991940 0.495970 0.995269 O\n","nsites":21,"nelements":4,"elements":["Ba","Mg","Rh","O"],"chemical_system":"Ba-Mg-O-Rh","density":6.4826076402591255,"density_atomic":0.06964010618969779,"volume":301.5503730393024,"volume_molar":8.647518060348514,"formula_full":"Ba4 Mg1 Rh4 O12","formula_reduced":"Ba4Mg(RhO3)4","formula_anonymous":"AB4C4D12","energy":-138.80750645,"energy_per_atom":-6.60988125952381,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-130.56350645,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9198504,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.424000Z","spacegroup":187},{"id":"mp-976356","created_at":"2022-09-04T14:41:01.639182Z","structure_string":"Nd2 Sc6\n1.0\n3.418731 -5.921416 0.000000\n3.418731 5.921416 0.000000\n0.000000 0.000000 5.386204\nNd Sc\n2 6\ndirect\n0.666667 0.333333 0.250000 Nd\n0.333333 0.666667 0.750000 Nd\n0.837910 0.162090 0.750000 Sc\n0.324181 0.162090 0.750000 Sc\n0.837910 0.675819 0.750000 Sc\n0.162090 0.837910 0.250000 Sc\n0.675819 0.837910 0.250000 Sc\n0.162090 0.324181 0.250000 Sc\n","nsites":8,"nelements":2,"elements":["Nd","Sc"],"chemical_system":"Nd-Sc","density":4.250605329817288,"density_atomic":0.036684845160989965,"volume":218.07370223023491,"volume_molar":16.415881636060007,"formula_full":"Nd2 Sc6","formula_reduced":"NdSc3","formula_anonymous":"AB3","energy":-47.18554544,"energy_per_atom":-5.89819318,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.18554544,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.1285639,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.353000Z","spacegroup":194},{"id":"mp-1185971","created_at":"2022-09-04T14:41:01.647795Z","structure_string":"Mg1 Ti3\n1.0\n4.159066 0.000000 0.000000\n0.000000 4.159066 0.000000\n0.000000 0.000000 4.159066\nMg Ti\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n","nsites":4,"nelements":2,"elements":["Mg","Ti"],"chemical_system":"Mg-Ti","density":3.875501206550804,"density_atomic":0.05559971362420442,"volume":71.9428165949881,"volume_molar":10.831244205147057,"formula_full":"Mg1 Ti3","formula_reduced":"MgTi3","formula_anonymous":"AB3","energy":-24.66651443,"energy_per_atom":-6.1666286075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.66651443,"band_gap":0.0108000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0037736,"is_theoretical":true,"updated_at":"2021-11-28T01:35:12.788000Z","spacegroup":221},{"id":"mp-983445","created_at":"2022-09-04T14:41:01.651458Z","structure_string":"Na6 Pt2\n1.0\n3.190330 -5.525814 0.000000\n3.190330 5.525814 0.000000\n0.000000 0.000000 5.158950\nNa Pt\n6 2\ndirect\n0.178226 0.356453 0.250000 Na\n0.643547 0.821774 0.250000 Na\n0.178226 0.821774 0.250000 Na\n0.821774 0.643547 0.750000 Na\n0.356453 0.178226 0.750000 Na\n0.821774 0.178226 0.750000 Na\n0.333333 0.666667 0.750000 Pt\n0.666667 0.333333 0.250000 Pt\n","nsites":8,"nelements":2,"elements":["Na","Pt"],"chemical_system":"Na-Pt","density":4.821115331933623,"density_atomic":0.043981172433142486,"volume":181.89601498598327,"volume_molar":13.692542574108257,"formula_full":"Na6 Pt2","formula_reduced":"Na3Pt","formula_anonymous":"AB3","energy":-20.35885699,"energy_per_atom":-2.54485712375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.35885699,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.008789,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.096000Z","spacegroup":194},{"id":"mp-1095589","created_at":"2022-09-04T14:41:01.652774Z","structure_string":"U2 Cl4 O6\n1.0\n8.838949 0.000000 0.000000\n0.000000 6.489853 0.000000\n0.000000 0.467209 6.757400\nU Cl O\n2 4 6\ndirect\n0.250000 0.899587 0.088037 U\n0.750000 0.100413 0.911963 U\n0.937731 0.835157 0.151894 Cl\n0.437731 0.164843 0.848106 Cl\n0.062269 0.164843 0.848106 Cl\n0.562269 0.835157 0.151894 Cl\n0.250000 0.100784 0.261463 O\n0.750000 0.899216 0.738537 O\n0.250000 0.733468 0.882512 O\n0.750000 0.266532 0.117488 O\n0.250000 0.678096 0.284416 O\n0.750000 0.321904 0.715584 O\n","nsites":12,"nelements":3,"elements":["U","Cl","O"],"chemical_system":"Cl-O-U","density":3.05809388144342,"density_atomic":0.0309575177562731,"volume":387.62797762002,"volume_molar":19.452918697849086,"formula_full":"U2 Cl4 O6","formula_reduced":"UCl2O3","formula_anonymous":"AB2C3","energy":-82.83785079,"energy_per_atom":-6.9031542325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.71585079,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0002804,"is_theoretical":false,"updated_at":"2021-11-28T01:35:11.379000Z","spacegroup":11}]}