{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=12167","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=12165","results":[{"id":"mp-27480","created_at":"2022-09-04T14:43:20.935807Z","structure_string":"Sn4 O2 F4\n1.0\n4.086293 4.701391 0.000000\n-4.086293 4.701391 0.000000\n0.000000 0.657578 5.186469\nSn O F\n4 2 4\ndirect\n0.297272 0.702728 0.500000 Sn\n0.702728 0.297272 0.500000 Sn\n0.218781 0.218781 0.987826 Sn\n0.781219 0.781219 0.012174 Sn\n0.392040 0.392040 0.694456 O\n0.607960 0.607960 0.305544 O\n0.857669 0.491324 0.798893 F\n0.142331 0.508676 0.201107 F\n0.491324 0.857669 0.798893 F\n0.508676 0.142331 0.201107 F\n","nsites":10,"nelements":3,"elements":["Sn","O","F"],"chemical_system":"F-O-Sn","density":4.856631318048481,"density_atomic":0.05018135022091813,"volume":199.27722064025875,"volume_molar":12.000754729572154,"formula_full":"Sn4 O2 F4","formula_reduced":"Sn2OF2","formula_anonymous":"AB2C2","energy":-55.64225162,"energy_per_atom":-5.5642251620000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.42025162,"band_gap":2.6708000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001063,"is_theoretical":false,"updated_at":"2021-11-28T01:36:12.497000Z","spacegroup":12},{"id":"mp-755089","created_at":"2022-09-04T14:43:20.939088Z","structure_string":"Zr4 O8\n1.0\n3.480760 0.000000 0.000000\n0.000000 5.505508 0.000000\n0.000000 0.000000 7.759793\nZr O\n4 8\ndirect\n0.250000 0.135917 0.828305 Zr\n0.250000 0.364083 0.328305 Zr\n0.750000 0.635917 0.671695 Zr\n0.750000 0.864083 0.171695 Zr\n0.250000 0.114891 0.108718 O\n0.750000 0.140220 0.355255 O\n0.750000 0.359780 0.855255 O\n0.250000 0.385109 0.608718 O\n0.750000 0.614891 0.391282 O\n0.250000 0.640220 0.144745 O\n0.250000 0.859780 0.644745 O\n0.750000 0.885109 0.891282 O\n","nsites":12,"nelements":2,"elements":["Zr","O"],"chemical_system":"O-Zr","density":5.504001557506592,"density_atomic":0.08069741671351024,"volume":148.7036449085114,"volume_molar":7.4626190097009415,"formula_full":"Zr4 O8","formula_reduced":"ZrO2","formula_anonymous":"AB2","energy":-119.26887777,"energy_per_atom":-9.9390731475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.77287777,"band_gap":3.9596,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.3e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.465000Z","spacegroup":62},{"id":"mp-1043013","created_at":"2022-09-04T14:43:20.943407Z","structure_string":"Cr6 O16\n1.0\n2.905424 -5.032343 0.000000\n2.905424 5.032343 0.000000\n0.000000 0.000000 10.207997\nCr O\n6 16\ndirect\n0.665999 0.832999 0.250090 Cr\n0.832999 0.167001 0.750090 Cr\n0.167001 0.334001 0.250090 Cr\n0.832999 0.665999 0.750090 Cr\n0.334001 0.167001 0.750090 Cr\n0.167001 0.832999 0.250090 Cr\n0.850072 0.149928 0.155260 O\n0.700143 0.850072 0.655260 O\n0.149928 0.299857 0.655260 O\n0.850072 0.700143 0.155260 O\n0.299857 0.149928 0.155260 O\n0.149928 0.850072 0.655260 O\n0.517208 0.482792 0.846371 O\n0.034416 0.517208 0.346371 O\n0.482792 0.965584 0.346371 O\n0.517208 0.034416 0.846371 O\n0.000000 0.000000 0.349012 O\n0.000000 0.000000 0.849012 O\n0.333333 0.666667 0.150971 O\n0.965584 0.482792 0.846371 O\n0.482792 0.517208 0.346371 O\n0.666667 0.333333 0.650971 O\n","nsites":22,"nelements":2,"elements":["Cr","O"],"chemical_system":"Cr-O","density":3.1595258788532776,"density_atomic":0.07370083311981772,"volume":298.50408833552694,"volume_molar":8.171061988145535,"formula_full":"Cr6 O16","formula_reduced":"Cr3O8","formula_anonymous":"A3B8","energy":-166.17338162,"energy_per_atom":-7.553335528181818,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-143.18738162,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.006763,"is_theoretical":true,"updated_at":"2021-11-28T01:36:13.145000Z","spacegroup":186},{"id":"mp-1209332","created_at":"2022-09-04T14:43:20.953665Z","structure_string":"Rb1 O1\n1.0\n0.000000 2.895566 2.895566\n2.895566 0.000000 2.895566\n2.895566 2.895566 0.000000\nRb O\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 O\n","nsites":2,"nelements":2,"elements":["Rb","O"],"chemical_system":"O-Rb","density":3.470119034675555,"density_atomic":0.04119074003814683,"volume":48.554602275846364,"volume_molar":14.620132472548157,"formula_full":"Rb1 O1","formula_reduced":"RbO","formula_anonymous":"AB","energy":-7.72600332,"energy_per_atom":-3.86300166,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.03900332,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0000261,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.015000Z","spacegroup":225},{"id":"mp-1227240","created_at":"2022-09-04T14:43:20.956147Z","structure_string":"Ca3 Nb12 O24\n1.0\n5.217659 4.903908 0.000000\n-5.217659 4.903908 0.000000\n0.000000 0.818486 9.772166\nCa Nb O\n3 12 24\ndirect\n0.872904 0.872904 0.128074 Ca\n0.142809 0.142809 0.857169 Ca\n0.621454 0.621454 0.377661 Ca\n0.152211 0.152211 0.351931 Nb\n0.647073 0.647073 0.848783 Nb\n0.846556 0.846556 0.652141 Nb\n0.348377 0.348377 0.152954 Nb\n0.851216 0.416774 0.636247 Nb\n0.356046 0.918119 0.136542 Nb\n0.918119 0.356046 0.136542 Nb\n0.416774 0.851216 0.636247 Nb\n0.082671 0.645336 0.860872 Nb\n0.580689 0.144899 0.368172 Nb\n0.144899 0.580689 0.368172 Nb\n0.645336 0.082671 0.860872 Nb\n0.343566 0.065956 0.482706 O\n0.845364 0.579951 0.986162 O\n0.854553 0.118540 0.709849 O\n0.352797 0.619402 0.212150 O\n0.919730 0.656483 0.513063 O\n0.423765 0.156345 0.014211 O\n0.881664 0.145524 0.287074 O\n0.378142 0.657167 0.795530 O\n0.656483 0.919730 0.513063 O\n0.156345 0.423765 0.014211 O\n0.145524 0.881664 0.287074 O\n0.657167 0.378142 0.795530 O\n0.065956 0.343566 0.482706 O\n0.579951 0.845364 0.986162 O\n0.118540 0.854553 0.709849 O\n0.619402 0.352797 0.212150 O\n0.335683 0.669014 0.495893 O\n0.845693 0.159010 0.999465 O\n0.669014 0.335683 0.495893 O\n0.159010 0.845693 0.999465 O\n0.074587 0.421436 0.751712 O\n0.583495 0.915996 0.250494 O\n0.915996 0.583495 0.250494 O\n0.421436 0.074587 0.751712 O\n","nsites":39,"nelements":3,"elements":["Ca","Nb","O"],"chemical_system":"Ca-Nb-O","density":5.376292670389988,"density_atomic":0.07798763838276952,"volume":500.07925369639867,"volume_molar":7.721917069014009,"formula_full":"Ca3 Nb12 O24","formula_reduced":"CaNb4O8","formula_anonymous":"AB4C8","energy":-361.69687148,"energy_per_atom":-9.274278755897436,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-345.20887148,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2257793,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.460000Z","spacegroup":8},{"id":"mp-755580","created_at":"2022-09-04T14:43:20.957642Z","structure_string":"V4 Ga4 O12\n1.0\n5.135831 -0.000029 0.000008\n-0.000047 7.875593 0.000030\n0.000008 0.000019 5.139276\nV Ga O\n4 4 12\ndirect\n0.000000 0.000001 0.499994 V\n0.999999 0.500001 0.500000 V\n0.500000 0.999998 0.000005 V\n0.499999 0.500001 0.999997 V\n0.011887 0.250002 0.015547 Ga\n0.488115 0.749991 0.515544 Ga\n0.511885 0.250008 0.484452 Ga\n0.988112 0.749996 0.984457 Ga\n0.122885 0.750003 0.628258 O\n0.169465 0.574781 0.157347 O\n0.169461 0.925222 0.157341 O\n0.330543 0.074784 0.657339 O\n0.330532 0.425223 0.657339 O\n0.377114 0.250002 0.128254 O\n0.622884 0.749997 0.871745 O\n0.669469 0.574779 0.342658 O\n0.669463 0.925215 0.342663 O\n0.830540 0.074778 0.842660 O\n0.830532 0.425216 0.842656 O\n0.877114 0.250000 0.371744 O\n","nsites":20,"nelements":3,"elements":["V","Ga","O"],"chemical_system":"Ga-O-V","density":5.389298103486119,"density_atomic":0.09621306841408994,"volume":207.87196926224522,"volume_molar":6.25917129477817,"formula_full":"V4 Ga4 O12","formula_reduced":"VGaO3","formula_anonymous":"ABC3","energy":-154.01786265,"energy_per_atom":-7.700893132500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-138.97386265,"band_gap":1.4157000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.000609,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.333000Z","spacegroup":62},{"id":"mp-569843","created_at":"2022-09-04T14:43:20.960105Z","structure_string":"Mn1 Br2\n1.0\n6.808551 -1.939080 0.000000\n6.808551 1.939080 0.000000\n6.256300 0.000000 3.312871\nMn Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.741869 0.741869 0.741869 Br\n0.258131 0.258131 0.258131 Br\n","nsites":3,"nelements":2,"elements":["Mn","Br"],"chemical_system":"Br-Mn","density":4.076517666758473,"density_atomic":0.03429543469589399,"volume":87.47519973435922,"volume_molar":17.559598860314193,"formula_full":"Mn1 Br2","formula_reduced":"MnBr2","formula_anonymous":"AB2","energy":-15.93608498,"energy_per_atom":-5.312028326666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.86808498,"band_gap":1.5294,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0004866,"is_theoretical":false,"updated_at":"2021-11-28T01:36:10.375000Z","spacegroup":166},{"id":"mp-1174361","created_at":"2022-09-04T14:43:20.966461Z","structure_string":"Li10 Mn4 Co2 O16\n1.0\n2.770452 -0.020720 0.842988\n0.424158 10.038803 -1.740284\n-2.694428 -0.080259 9.401701\nLi Mn Co O\n10 4 2 16\ndirect\n0.499940 0.249996 0.999999 Li\n0.000074 0.249977 0.499977 Li\n0.492863 0.140604 0.254466 Li\n0.985649 0.140600 0.754419 Li\n0.014510 0.359445 0.245568 Li\n0.507121 0.359427 0.745496 Li\n0.500436 0.621124 0.243719 Li\n0.005926 0.620541 0.743890 Li\n0.994249 0.879497 0.256101 Li\n0.499632 0.878908 0.756264 Li\n0.492255 0.010468 0.508833 Mn\n0.508668 0.489579 0.491339 Mn\n0.995932 0.010370 0.008633 Mn\n0.003167 0.489505 0.991220 Mn\n0.499893 0.750008 0.999988 Co\n0.000101 0.749986 0.499987 Co\n0.999235 0.172522 0.121718 O\n0.493950 0.172473 0.621806 O\n0.506293 0.327562 0.378224 O\n0.000442 0.327466 0.878228 O\n0.496480 0.446157 0.105149 O\n0.001962 0.445975 0.605227 O\n0.998520 0.053977 0.394862 O\n0.502917 0.053850 0.894850 O\n0.018995 0.682976 0.110661 O\n0.521744 0.683022 0.610930 O\n0.478419 0.816963 0.389073 O\n0.980771 0.817056 0.889312 O\n0.486738 0.940520 0.114765 O\n0.982698 0.940445 0.614583 O\n0.017661 0.559509 0.385486 O\n0.512760 0.559494 0.885227 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":3.87867277725309,"density_atomic":0.11273481811681,"volume":283.8519681367938,"volume_molar":5.341864084758773,"formula_full":"Li10 Mn4 Co2 O16","formula_reduced":"Li5Mn2CoO8","formula_anonymous":"AB2C5D8","energy":-213.42035432,"energy_per_atom":-6.6693860725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-192.48035432,"band_gap":1.2120000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":11.9999237,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.889000Z","spacegroup":2},{"id":"mp-1033562","created_at":"2022-09-04T14:43:20.976742Z","structure_string":"Na1 Hf1 Mg6 O7\n1.0\n8.814005 0.000000 0.000000\n0.000000 4.352384 0.000000\n0.000000 0.000000 4.352384\nNa Hf Mg O\n1 1 6 7\ndirect\n0.001397 0.000000 0.000000 Na\n0.000809 0.500000 0.500000 Hf\n0.502269 0.000000 0.000000 Mg\n0.500746 0.500000 0.500000 Mg\n0.259827 -0.000000 0.500000 Mg\n0.743486 0.000000 0.500000 Mg\n0.259827 0.500000 -0.000000 Mg\n0.743486 0.500000 0.000000 Mg\n0.734801 0.000000 0.000000 O\n0.256061 0.500000 0.500000 O\n0.747165 0.500000 0.500000 O\n0.997890 0.000000 0.500000 O\n0.502172 -0.000000 0.500000 O\n0.997890 0.500000 0.000000 O\n0.502172 0.500000 0.000000 O\n","nsites":15,"nelements":4,"elements":["Na","Hf","Mg","O"],"chemical_system":"Hf-Mg-Na-O","density":4.567968560598349,"density_atomic":0.08983872015249109,"volume":166.96586922141358,"volume_molar":6.7032797771140284,"formula_full":"Na1 Hf1 Mg6 O7","formula_reduced":"NaHfMg6O7","formula_anonymous":"ABC6D7","energy":-94.44080387,"energy_per_atom":-6.296053591333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-89.63180387,"band_gap":2.599800000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.8485116,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.791000Z","spacegroup":99},{"id":"mp-1218899","created_at":"2022-09-04T14:43:20.978310Z","structure_string":"Sr10 P6 Cl1 O24 F1\n1.0\n4.970562 -8.609267 0.000000\n4.970562 8.609267 0.000000\n0.000000 0.000000 7.333679\nSr P Cl O F\n10 6 1 24 1\ndirect\n0.000000 0.000000 0.502408 Sr\n0.333333 0.666667 0.001000 Sr\n0.333333 0.666667 0.501092 Sr\n0.000000 0.000000 0.996541 Sr\n0.922553 0.325819 0.251241 Sr\n0.403266 0.077447 0.251241 Sr\n0.674181 0.596734 0.251241 Sr\n0.427510 0.339331 0.751801 Sr\n0.911821 0.572490 0.751801 Sr\n0.660669 0.088179 0.751801 Sr\n0.638416 0.934165 0.249513 P\n0.295748 0.361584 0.249513 P\n0.065835 0.704252 0.249513 P\n0.694321 0.734636 0.749134 P\n0.040315 0.305679 0.749134 P\n0.265364 0.959685 0.749134 P\n0.666667 0.333333 0.083588 Cl\n0.816748 0.996571 0.249697 O\n0.179823 0.183252 0.249697 O\n0.003429 0.820177 0.249697 O\n0.516056 0.669508 0.749325 O\n0.153452 0.483944 0.749325 O\n0.330492 0.846548 0.749325 O\n0.590381 0.995548 0.418699 O\n0.405168 0.409619 0.418699 O\n0.004452 0.594832 0.418699 O\n0.745181 0.679084 0.920807 O\n0.933903 0.254819 0.920807 O\n0.320916 0.066097 0.920807 O\n0.744629 0.677194 0.578529 O\n0.932565 0.255371 0.578529 O\n0.322806 0.067435 0.578529 O\n0.585353 0.983133 0.075499 O\n0.397779 0.414647 0.075499 O\n0.016867 0.602221 0.075499 O\n0.547111 0.752235 0.255324 O\n0.205124 0.452889 0.255324 O\n0.247765 0.794876 0.255324 O\n0.784698 0.916386 0.748052 O\n0.131689 0.215302 0.748052 O\n0.083614 0.868311 0.748052 O\n0.666667 0.333333 0.669521 F\n","nsites":42,"nelements":5,"elements":["Sr","P","Cl","O","F"],"chemical_system":"Cl-F-O-P-Sr","density":3.969681113510952,"density_atomic":0.06691534568899152,"volume":627.6587166598106,"volume_molar":8.99964081182461,"formula_full":"Sr10 P6 Cl1 O24 F1","formula_reduced":"Sr10P6ClO24F","formula_anonymous":"ABC6D10E24","energy":-313.50216562,"energy_per_atom":-7.464337276666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-295.93816562,"band_gap":5.1058,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004803,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.801000Z","spacegroup":143},{"id":"mp-1214603","created_at":"2022-09-04T14:43:20.981001Z","structure_string":"Ba3 Cd1 Ge2 O8\n1.0\n-2.967312 -5.139536 0.000000\n-2.967312 5.139536 0.000000\n0.000000 0.000000 -7.628796\nBa Cd Ge O\n3 1 2 8\ndirect\n0.666667 0.333333 0.335991 Ba\n0.333333 0.666667 0.664009 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Cd\n0.666667 0.333333 0.783976 Ge\n0.333333 0.666667 0.216024 Ge\n0.666667 0.333333 0.011364 O\n0.333333 0.666667 0.988636 O\n0.827567 0.655134 0.694478 O\n0.172433 0.344866 0.305522 O\n0.827567 0.172433 0.694478 O\n0.172433 0.827567 0.305522 O\n0.344866 0.172433 0.694478 O\n0.655134 0.827567 0.305522 O\n","nsites":14,"nelements":4,"elements":["Ba","Cd","Ge","O"],"chemical_system":"Ba-Cd-Ge-O","density":5.692430134704859,"density_atomic":0.060166522792095625,"volume":232.6875370274722,"volume_molar":10.009122150551068,"formula_full":"Ba3 Cd1 Ge2 O8","formula_reduced":"Ba3Cd(GeO4)2","formula_anonymous":"AB2C3D8","energy":-91.45846398,"energy_per_atom":-6.532747427142858,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.96246398,"band_gap":2.8589,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008524,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.088000Z","spacegroup":164},{"id":"mp-1517363","created_at":"2022-09-04T14:43:20.984994Z","structure_string":"Na1 Sr1 Ca1 Mn1 O6\n1.0\n-0.000000 -4.122374 -4.122374\n4.122374 0.000000 -4.122374\n4.122374 -4.122374 -0.000000\nNa Sr Ca Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 -0.000000 Ca\n0.500000 0.500000 0.500000 Mn\n0.728157 0.271843 0.271843 O\n0.271843 0.728157 0.728157 O\n0.728157 0.271843 0.728157 O\n0.271843 0.728157 0.271843 O\n0.728157 0.728157 0.271843 O\n0.271843 0.271843 0.728157 O\n","nsites":10,"nelements":5,"elements":["Na","Sr","Ca","Mn","O"],"chemical_system":"Ca-Mn-Na-O-Sr","density":3.5747053858039077,"density_atomic":0.07137199449207837,"volume":140.11097869921383,"volume_molar":8.437680357480273,"formula_full":"Na1 Sr1 Ca1 Mn1 O6","formula_reduced":"NaSrCaMnO6","formula_anonymous":"ABCDE6","energy":-64.05733207,"energy_per_atom":-6.405733207,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-58.26733207,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:36:10.728000Z","spacegroup":216}]}