{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=17","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=15","results":[{"id":"mp-1027854","created_at":"2022-09-04T14:39:07.422474Z","structure_string":"Mg14 Zr1 Ga1\n1.0\n6.364392 -0.000000 0.000000\n-3.182196 5.511725 0.000000\n0.000000 0.000000 10.133289\nMg Zr Ga\n14 1 1\ndirect\n0.171709 0.835854 0.125000 Mg\n0.164928 0.832464 0.625000 Mg\n0.664146 0.328291 0.125000 Mg\n0.667536 0.335072 0.625000 Mg\n0.664146 0.835854 0.125000 Mg\n0.667536 0.832464 0.625000 Mg\n0.329071 0.170929 0.375849 Mg\n0.329071 0.170929 0.874151 Mg\n0.329071 0.658142 0.375849 Mg\n0.329071 0.658142 0.874151 Mg\n0.841858 0.170929 0.375849 Mg\n0.841858 0.170929 0.874151 Mg\n0.833333 0.666667 0.369768 Mg\n0.833333 0.666667 0.880232 Mg\n0.166667 0.333333 0.125000 Zr\n0.166667 0.333333 0.625000 Ga\n","nsites":16,"nelements":3,"elements":["Mg","Zr","Ga"],"chemical_system":"Ga-Mg-Zr","density":2.3414236422491204,"density_atomic":0.0450116664272405,"volume":355.46340026898,"volume_molar":13.379066446550123,"formula_full":"Mg14 Zr1 Ga1","formula_reduced":"Mg14ZrGa","formula_anonymous":"ABC14","energy":-34.06851629,"energy_per_atom":-2.129282268125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.06851629,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.52e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.564000Z","spacegroup":187},{"id":"mp-1207649","created_at":"2022-09-04T14:39:07.426451Z","structure_string":"Y3 Fe9 B12 O36\n1.0\n4.808135 -8.327935 0.000000\n4.808135 8.327935 0.000000\n0.000000 0.000000 7.657403\nY Fe B O\n3 9 12 36\ndirect\n0.664353 0.000000 0.333333 Y\n0.000000 0.664353 0.666667 Y\n0.335647 0.335647 0.000000 Y\n0.115444 0.000000 0.333333 Fe\n0.000000 0.115444 0.666667 Fe\n0.884556 0.884556 0.000000 Fe\n0.548606 0.211737 0.654953 Fe\n0.788263 0.336868 0.988286 Fe\n0.211737 0.548606 0.345047 Fe\n0.663132 0.451394 0.321619 Fe\n0.336868 0.788263 0.011714 Fe\n0.451394 0.663132 0.678381 Fe\n0.221527 0.000000 0.833333 B\n0.000000 0.221527 0.166667 B\n0.778473 0.778473 0.500000 B\n0.667647 0.000000 0.833333 B\n0.000000 0.667647 0.166667 B\n0.332353 0.332353 0.500000 B\n0.126077 0.448698 0.849561 B\n0.551302 0.677379 0.182894 B\n0.448698 0.126077 0.150439 B\n0.322621 0.873923 0.516228 B\n0.677379 0.551302 0.817106 B\n0.873923 0.322621 0.483772 B\n0.361103 0.146903 0.813764 O\n0.853097 0.214200 0.147098 O\n0.146903 0.361103 0.186236 O\n0.785800 0.638897 0.480431 O\n0.214200 0.853097 0.852902 O\n0.638897 0.785800 0.519569 O\n0.277750 0.580785 0.875302 O\n0.419215 0.696965 0.208636 O\n0.580785 0.277750 0.124698 O\n0.303035 0.722250 0.541969 O\n0.696965 0.419215 0.791364 O\n0.722250 0.303035 0.458031 O\n0.473668 0.006530 0.519408 O\n0.993470 0.467137 0.852741 O\n0.006530 0.473668 0.480592 O\n0.532863 0.526332 0.186075 O\n0.467137 0.993470 0.147259 O\n0.526332 0.532863 0.813925 O\n0.077777 0.000000 0.833333 O\n0.000000 0.077777 0.166667 O\n0.922223 0.922223 0.500000 O\n0.123445 0.305324 0.822865 O\n0.694676 0.818121 0.156198 O\n0.305324 0.123445 0.177135 O\n0.181879 0.876555 0.489531 O\n0.818121 0.694676 0.843802 O\n0.876555 0.181879 0.510469 O\n0.329872 0.474705 0.509450 O\n0.525295 0.855168 0.842783 O\n0.474705 0.329872 0.490550 O\n0.144832 0.670128 0.176117 O\n0.855168 0.525295 0.157217 O\n0.670128 0.144832 0.823883 O\n0.811449 0.000000 0.833333 O\n0.000000 0.811449 0.166667 O\n0.188551 0.188551 0.500000 O\n","nsites":60,"nelements":4,"elements":["Y","Fe","B","O"],"chemical_system":"B-Fe-O-Y","density":3.9941589119123435,"density_atomic":0.09784210119641155,"volume":613.2329464138752,"volume_molar":6.154958536623157,"formula_full":"Y3 Fe9 B12 O36","formula_reduced":"YFe3(BO3)4","formula_anonymous":"AB3C4D12","energy":-508.38273655,"energy_per_atom":-8.473045609166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-463.34673655,"band_gap":2.3578,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":45.0025246,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.203000Z","spacegroup":152},{"id":"mp-1068782","created_at":"2022-09-04T14:39:07.478066Z","structure_string":"Sm1 Si3 Os1\n1.0\n-2.111886 2.111886 4.967651\n2.111886 -2.111886 4.967651\n2.111886 2.111886 -4.967651\nSm Si Os\n1 3 1\ndirect\n0.997930 0.997930 0.000000 Sm\n0.418391 0.418391 0.000000 Si\n0.261659 0.761659 0.500000 Si\n0.761659 0.261659 0.500000 Si\n0.654361 0.654361 0.000000 Os\n","nsites":5,"nelements":3,"elements":["Sm","Si","Os"],"chemical_system":"Os-Si-Sm","density":7.960294430008739,"density_atomic":0.05641803988631535,"volume":88.62413529564664,"volume_molar":10.674140349673367,"formula_full":"Sm1 Si3 Os1","formula_reduced":"SmSi3Os","formula_anonymous":"ABC3","energy":-35.12659261,"energy_per_atom":-7.025318522000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.33959261,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0056807,"is_theoretical":false,"updated_at":"2021-11-28T01:34:30.017000Z","spacegroup":107},{"id":"mp-1183809","created_at":"2022-09-04T14:39:07.724155Z","structure_string":"Ce2 Hg1 Pb1\n1.0\n0.000000 3.919307 3.919307\n3.919307 0.000000 3.919307\n3.919307 3.919307 0.000000\nCe Hg Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ce\n0.750000 0.750000 0.750000 Ce\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pb\n","nsites":4,"nelements":3,"elements":["Ce","Hg","Pb"],"chemical_system":"Ce-Hg-Pb","density":9.48841295084453,"density_atomic":0.03322019260938707,"volume":120.40869380359085,"volume_molar":18.1279525703241,"formula_full":"Ce2 Hg1 Pb1","formula_reduced":"Ce2HgPb","formula_anonymous":"ABC2","energy":-17.23123097,"energy_per_atom":-4.3078077425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.23123097,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.2818411,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.412000Z","spacegroup":225},{"id":"mp-1219128","created_at":"2022-09-04T14:39:07.429379Z","structure_string":"Sr4 Ca4 Nd2 Mn10 O30\n1.0\n5.489681 0.000000 0.000000\n-2.365570 9.072261 0.000000\n-2.630757 -2.296344 11.494542\nSr Ca Nd Mn O\n4 4 2 10 30\ndirect\n0.149198 0.350181 0.950341 Sr\n0.547260 0.948064 0.149416 Sr\n0.948790 0.551646 0.348653 Sr\n0.352406 0.150084 0.553052 Sr\n0.451122 0.047537 0.848415 Ca\n0.846100 0.651741 0.046835 Ca\n0.651645 0.847872 0.447211 Ca\n0.053215 0.451101 0.653506 Ca\n0.753143 0.749984 0.748331 Nd\n0.248665 0.249934 0.251480 Nd\n0.500636 0.500390 0.501050 Mn\n0.700536 0.300612 0.098226 Mn\n0.098533 0.898182 0.300410 Mn\n0.901919 0.101332 0.700110 Mn\n0.299590 0.699758 0.900039 Mn\n0.599819 0.398406 0.800124 Mn\n0.799642 0.198964 0.401868 Mn\n0.200235 0.800640 0.599685 Mn\n0.999142 0.999438 0.998431 Mn\n0.400756 0.602137 0.200067 Mn\n0.157479 0.348611 0.445343 O\n0.341153 0.152735 0.053431 O\n0.742982 0.752186 0.252648 O\n0.549147 0.941733 0.657320 O\n0.954688 0.555046 0.846223 O\n0.250758 0.253989 0.752049 O\n0.452062 0.055363 0.348663 O\n0.844594 0.653956 0.554475 O\n0.652465 0.848403 0.940353 O\n0.051623 0.439416 0.152410 O\n0.430937 0.582980 0.361674 O\n0.638706 0.388966 0.962594 O\n0.031155 0.984967 0.160768 O\n0.834567 0.187462 0.562315 O\n0.215519 0.783409 0.760989 O\n0.992340 0.017782 0.839700 O\n0.199751 0.826171 0.443484 O\n0.598004 0.428808 0.642954 O\n0.394306 0.626987 0.041331 O\n0.787301 0.224552 0.241677 O\n0.743779 0.232750 0.778368 O\n0.953650 0.038388 0.378800 O\n0.353703 0.635507 0.583925 O\n0.147379 0.834372 0.977316 O\n0.545417 0.434208 0.177306 O\n0.022175 0.952047 0.617406 O\n0.216576 0.749760 0.216093 O\n0.632502 0.356905 0.418719 O\n0.443817 0.563657 0.817446 O\n0.819112 0.150882 0.016973 O\n","nsites":50,"nelements":5,"elements":["Sr","Ca","Nd","Mn","O"],"chemical_system":"Ca-Mn-Nd-O-Sr","density":5.30423343204501,"density_atomic":0.08734050288265488,"volume":572.4720874022995,"volume_molar":6.895014983015341,"formula_full":"Sr4 Ca4 Nd2 Mn10 O30","formula_reduced":"Sr2Ca2NdMn5O15","formula_anonymous":"AB2C2D5E15","energy":-393.44153588,"energy_per_atom":-7.8688307176,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-356.15153588,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":31.9967006,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.737000Z","spacegroup":1},{"id":"mp-1224972","created_at":"2022-09-04T14:39:07.431725Z","structure_string":"Fe1 Co1 As4\n1.0\n2.969687 0.000000 0.000000\n0.000000 5.220714 0.000000\n0.000000 0.006590 5.942026\nFe Co As\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Co\n0.500000 0.317138 0.137299 As\n0.500000 0.682862 0.862701 As\n0.000000 0.818011 0.360907 As\n0.000000 0.181989 0.639093 As\n","nsites":6,"nelements":3,"elements":["Fe","Co","As"],"chemical_system":"As-Co-Fe","density":7.470701894144317,"density_atomic":0.06512925679176503,"volume":92.12449666335887,"volume_molar":9.246444772514957,"formula_full":"Fe1 Co1 As4","formula_reduced":"FeCoAs4","formula_anonymous":"ABC4","energy":-35.91882382,"energy_per_atom":-5.986470636666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.91882382,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.2661831,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.873000Z","spacegroup":10},{"id":"mp-558302","created_at":"2022-09-04T14:39:07.439174Z","structure_string":"Bi20 Br4 O28\n1.0\n2.721344 -8.237742 0.000000\n2.721344 8.237742 0.000000\n0.000000 0.000000 23.773791\nBi Br O\n20 4 28\ndirect\n0.385769 0.042590 0.060829 Bi\n0.284150 0.284150 0.201694 Bi\n0.784150 0.784150 0.298306 Bi\n0.985169 0.634300 0.190736 Bi\n0.014831 0.365700 0.809264 Bi\n0.134300 0.485169 0.309264 Bi\n0.514831 0.865700 0.690736 Bi\n0.885769 0.542590 0.439171 Bi\n0.114231 0.457410 0.560829 Bi\n0.634300 0.985169 0.190736 Bi\n0.865700 0.514831 0.690736 Bi\n0.614231 0.957410 0.939171 Bi\n0.215850 0.215850 0.701694 Bi\n0.457410 0.114231 0.560829 Bi\n0.957410 0.614231 0.939171 Bi\n0.042590 0.385769 0.060829 Bi\n0.542590 0.885769 0.439171 Bi\n0.365700 0.014831 0.809264 Bi\n0.715850 0.715850 0.798306 Bi\n0.485169 0.134300 0.309264 Bi\n0.318879 0.318879 0.394784 Br\n0.818879 0.818879 0.105216 Br\n0.681121 0.681121 0.605216 Br\n0.181121 0.181121 0.894784 Br\n0.992840 0.611501 0.850235 O\n0.270115 0.770115 0.250000 O\n0.611501 0.992840 0.850235 O\n0.729885 0.229885 0.750000 O\n0.553977 0.390860 0.746963 O\n0.390860 0.553977 0.746963 O\n0.111501 0.492840 0.649765 O\n0.629930 0.038804 0.049966 O\n0.492840 0.111501 0.649765 O\n0.538804 0.129930 0.450034 O\n0.370070 0.961196 0.950034 O\n0.770115 0.270115 0.250000 O\n0.609140 0.446023 0.253037 O\n0.053977 0.890860 0.753037 O\n0.038804 0.629930 0.049966 O\n0.507160 0.888499 0.350235 O\n0.961196 0.370070 0.950034 O\n0.109140 0.946023 0.246963 O\n0.946023 0.109140 0.246963 O\n0.229885 0.729885 0.750000 O\n0.388499 0.007160 0.149765 O\n0.890860 0.053977 0.753037 O\n0.007160 0.388499 0.149765 O\n0.446023 0.609140 0.253037 O\n0.888499 0.507160 0.350235 O\n0.129930 0.538804 0.450034 O\n0.870070 0.461196 0.549966 O\n0.461196 0.870070 0.549966 O\n","nsites":52,"nelements":3,"elements":["Bi","Br","O"],"chemical_system":"Bi-Br-O","density":7.7070669507525364,"density_atomic":0.04878465947598044,"volume":1065.9088442669702,"volume_molar":12.344332879816562,"formula_full":"Bi20 Br4 O28","formula_reduced":"Bi5BrO7","formula_anonymous":"AB5C7","energy":-307.33548716,"energy_per_atom":-5.91029783,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-285.96348716,"band_gap":2.808,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.83e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:34.004000Z","spacegroup":64},{"id":"mp-573204","created_at":"2022-09-04T14:39:07.442675Z","structure_string":"Cs2 K1 Bi1 F6\n1.0\n0.000000 4.883971 4.883971\n4.883971 0.000000 4.883971\n4.883971 4.883971 0.000000\nCs K Bi F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Bi\n0.766532 0.233468 0.233468 F\n0.233468 0.233468 0.766532 F\n0.233468 0.766532 0.766532 F\n0.233468 0.766532 0.233468 F\n0.766532 0.233468 0.766532 F\n0.766532 0.766532 0.233468 F\n","nsites":10,"nelements":4,"elements":["Cs","K","Bi","F"],"chemical_system":"Bi-Cs-F-K","density":4.474829966183816,"density_atomic":0.042919116639482016,"volume":232.9964077313006,"volume_molar":14.031371639322444,"formula_full":"Cs2 K1 Bi1 F6","formula_reduced":"Cs2KBiF6","formula_anonymous":"ABC2D6","energy":-47.64498115000001,"energy_per_atom":-4.764498115,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.87298115,"band_gap":4.9469,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:38.240000Z","spacegroup":225},{"id":"mp-756919","created_at":"2022-09-04T14:39:07.444130Z","structure_string":"Mg6 As4 O16\n1.0\n8.453711 0.000000 0.000000\n0.000000 5.365652 0.000000\n0.000000 4.571603 7.923916\nMg As O\n6 4 16\ndirect\n0.000000 0.500000 0.500000 Mg\n0.355491 0.499635 0.601195 Mg\n0.855491 0.500365 0.898805 Mg\n0.500000 0.500000 0.000000 Mg\n0.144509 0.499635 0.101195 Mg\n0.644509 0.500365 0.398805 Mg\n0.306084 0.848381 0.195420 As\n0.806084 0.151619 0.304580 As\n0.193916 0.848381 0.695420 As\n0.693916 0.151619 0.804580 As\n0.873566 0.330581 0.740935 O\n0.436744 0.700035 0.361527 O\n0.646449 0.234398 0.958303 O\n0.804023 0.787781 0.383746 O\n0.146449 0.765602 0.541697 O\n0.373566 0.669419 0.759065 O\n0.304023 0.212219 0.116254 O\n0.936744 0.299965 0.138473 O\n0.063256 0.700035 0.861527 O\n0.695977 0.787781 0.883746 O\n0.626434 0.330581 0.240935 O\n0.853551 0.234398 0.458303 O\n0.195977 0.212219 0.616254 O\n0.353551 0.765602 0.041697 O\n0.563256 0.299965 0.638473 O\n0.126434 0.669419 0.259065 O\n","nsites":26,"nelements":3,"elements":["Mg","As","O"],"chemical_system":"As-Mg-O","density":3.2409417132837337,"density_atomic":0.07233751507133933,"volume":359.42622544275645,"volume_molar":8.325058932506819,"formula_full":"Mg6 As4 O16","formula_reduced":"Mg3(AsO4)2","formula_anonymous":"A2B3C8","energy":-171.29183648999998,"energy_per_atom":-6.588147557307692,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-160.29983649,"band_gap":3.5764,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005905,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.055000Z","spacegroup":14},{"id":"mp-558711","created_at":"2022-09-04T14:39:07.445608Z","structure_string":"V6 Cd10 P12 O50\n1.0\n2.403419 8.572902 0.000000\n-2.403419 8.572902 0.000000\n0.000000 5.591743 23.990993\nV Cd P O\n6 10 12 50\ndirect\n0.773407 0.764900 0.087058 V\n0.060420 0.939580 0.250000 V\n0.226593 0.235100 0.912942 V\n0.939580 0.060420 0.750000 V\n0.235100 0.226593 0.412942 V\n0.764900 0.773407 0.587058 V\n0.583905 0.536838 0.116444 Cd\n0.536838 0.583905 0.616444 Cd\n0.416095 0.463162 0.883556 Cd\n0.463162 0.416095 0.383556 Cd\n0.692943 0.641010 0.291376 Cd\n0.358990 0.307057 0.208624 Cd\n0.307057 0.358990 0.708624 Cd\n0.641010 0.692943 0.791376 Cd\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.188931 0.163731 0.674524 P\n0.811069 0.836269 0.325476 P\n0.163731 0.188931 0.174524 P\n0.836269 0.811069 0.825476 P\n0.673918 0.625995 0.496925 P\n0.115854 0.027148 0.359206 P\n0.374005 0.326082 0.003075 P\n0.625995 0.673918 0.996925 P\n0.972852 0.884146 0.140794 P\n0.884146 0.972852 0.640794 P\n0.027148 0.115854 0.859206 P\n0.326082 0.374005 0.503075 P\n0.437175 0.197366 0.951532 O\n0.137571 0.855715 0.092354 O\n0.019323 0.291684 0.864415 O\n0.708316 0.980677 0.635585 O\n0.754702 0.054631 0.811805 O\n0.686710 0.911852 0.270801 O\n0.942168 0.569840 0.354081 O\n0.662027 0.209535 0.147838 O\n0.313290 0.088148 0.729199 O\n0.144285 0.862429 0.407646 O\n0.280896 0.719104 0.750000 O\n0.337973 0.790465 0.852162 O\n0.444472 0.694188 0.522196 O\n0.569840 0.942168 0.854081 O\n0.911852 0.686710 0.770801 O\n0.057832 0.430160 0.645919 O\n0.868065 0.258054 0.803312 O\n0.945369 0.245298 0.688195 O\n0.131935 0.741946 0.196688 O\n0.873110 0.547282 0.958092 O\n0.741946 0.131935 0.696688 O\n0.054631 0.754702 0.311805 O\n0.100659 0.562467 0.862170 O\n0.655404 0.074548 0.035972 O\n0.790465 0.337973 0.352162 O\n0.802634 0.562825 0.548468 O\n0.126890 0.452718 0.041908 O\n0.344596 0.925452 0.964028 O\n0.862429 0.144285 0.907646 O\n0.694188 0.444472 0.022196 O\n0.719104 0.280896 0.250000 O\n0.437533 0.899341 0.637830 O\n0.855715 0.137571 0.592354 O\n0.074548 0.655404 0.535972 O\n0.547282 0.873110 0.458092 O\n0.305812 0.555528 0.977804 O\n0.430160 0.057832 0.145919 O\n0.258054 0.868065 0.303312 O\n0.555528 0.305812 0.477804 O\n0.899341 0.437533 0.137830 O\n0.925452 0.344596 0.464028 O\n0.291684 0.019323 0.364415 O\n0.088148 0.313290 0.229199 O\n0.980677 0.708316 0.135585 O\n0.562467 0.100659 0.362170 O\n0.197366 0.437175 0.451532 O\n0.245298 0.945369 0.188195 O\n0.209535 0.662027 0.647838 O\n0.452718 0.126890 0.541908 O\n0.562825 0.802634 0.048468 O\n","nsites":78,"nelements":4,"elements":["V","Cd","P","O"],"chemical_system":"Cd-O-P-V","density":4.369412287725964,"density_atomic":0.07889673547695246,"volume":988.6340610732314,"volume_molar":7.632940353735173,"formula_full":"V6 Cd10 P12 O50","formula_reduced":"V3Cd5P6O25","formula_anonymous":"A3B5C6D25","energy":-566.2257622899999,"energy_per_atom":-7.2593046447435885,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-521.67576229,"band_gap":1.9370000000000005,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":10.000056,"is_theoretical":false,"updated_at":"2021-11-28T01:34:25.042000Z","spacegroup":15},{"id":"mp-1173866","created_at":"2022-09-04T14:39:07.440181Z","structure_string":"Na12 S12 O30\n1.0\n5.655222 -0.083546 -0.202994\n-0.055446 5.965215 -1.646924\n-0.338545 1.128438 26.806721\nNa S O\n12 12 30\ndirect\n0.253380 0.885608 0.439388 Na\n0.276646 0.884010 0.787027 Na\n0.271518 0.886820 0.109311 Na\n0.245828 0.351265 0.013294 Na\n0.225745 0.339525 0.344142 Na\n0.206928 0.367575 0.685607 Na\n0.700946 0.154761 0.563125 Na\n0.716606 0.109522 0.229262 Na\n0.740640 0.122068 0.888069 Na\n0.750377 0.689230 0.310388 Na\n0.790705 0.665829 0.978459 Na\n0.765354 0.712951 0.660444 Na\n0.232398 0.425235 0.236106 S\n0.264402 0.443132 0.907768 S\n0.216232 0.443535 0.574542 S\n0.229575 0.806767 0.242573 S\n0.233992 0.840376 0.923109 S\n0.170259 0.845382 0.573525 S\n0.743749 0.560317 0.424083 S\n0.763414 0.554829 0.093786 S\n0.748686 0.555057 0.770867 S\n0.761426 0.156370 0.404567 S\n0.781052 0.150201 0.070588 S\n0.815938 0.187695 0.774489 S\n0.015083 0.401016 0.265570 O\n0.045475 0.392411 0.935161 O\n0.003701 0.419262 0.605841 O\n0.225793 0.841250 0.190003 O\n0.158556 0.846426 0.517973 O\n0.337175 0.891883 0.876134 O\n0.451901 0.410319 0.269738 O\n0.483790 0.424207 0.942851 O\n0.442024 0.436328 0.607283 O\n0.324839 0.030044 0.702325 O\n0.529490 0.589067 0.066958 O\n0.513197 0.588240 0.394852 O\n0.513050 0.550262 0.741801 O\n0.449590 0.900460 0.273389 O\n0.427930 0.944020 0.661365 O\n0.558377 0.142013 0.480088 O\n0.584935 0.142714 0.147006 O\n0.618523 0.106395 0.800793 O\n0.824994 0.095238 0.126978 O\n0.038237 0.204294 0.806746 O\n0.802334 0.106057 0.461400 O\n0.998448 0.113270 0.381382 O\n0.016529 0.107756 0.046538 O\n0.842112 0.061224 0.721516 O\n0.949519 0.600215 0.392625 O\n0.964978 0.600632 0.061737 O\n0.945871 0.585536 0.736347 O\n0.011712 0.887940 0.268894 O\n0.966172 0.859655 0.922511 O\n0.932272 0.887106 0.596608 O\n","nsites":54,"nelements":3,"elements":["Na","S","O"],"chemical_system":"Na-O-S","density":2.0717121244382213,"density_atomic":0.05906439575272957,"volume":914.2563690326837,"volume_molar":10.195889898224678,"formula_full":"Na12 S12 O30","formula_reduced":"Na2S2O5","formula_anonymous":"A2B2C5","energy":-287.8745098,"energy_per_atom":-5.331009440740741,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-283.0445098,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0002525,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.876000Z","spacegroup":1},{"id":"mp-1221062","created_at":"2022-09-04T14:39:06.897513Z","structure_string":"Na1 Nd3 Ti3 Mn1 O12\n1.0\n5.499195 0.000000 0.000000\n0.012090 5.656948 0.000000\n0.032851 0.017159 7.885426\nNa Nd Ti Mn O\n1 3 3 1 12\ndirect\n0.497258 0.481868 0.249795 Na\n0.017041 0.949638 0.241615 Nd\n0.512514 0.550893 0.762916 Nd\n0.988599 0.051298 0.754506 Nd\n0.498357 0.021090 0.503802 Ti\n0.009893 0.511686 0.491451 Ti\n0.503607 0.004210 0.016336 Ti\n0.004033 0.495806 0.006750 Mn\n0.587411 0.023113 0.253804 O\n0.916462 0.518494 0.266886 O\n0.413663 0.971889 0.738663 O\n0.093895 0.472249 0.734175 O\n0.784599 0.804147 0.952892 O\n0.707510 0.272940 0.555983 O\n0.203987 0.197230 0.459679 O\n0.311249 0.720506 0.039027 O\n0.204607 0.177011 0.030355 O\n0.270076 0.723721 0.453331 O\n0.776420 0.780696 0.549060 O\n0.698819 0.271513 0.938975 O\n","nsites":20,"nelements":5,"elements":["Na","Nd","Ti","Mn","O"],"chemical_system":"Mn-Na-Nd-O-Ti","density":5.728489056433703,"density_atomic":0.0815311425869986,"volume":245.30503762606793,"volume_molar":7.386307328606387,"formula_full":"Na1 Nd3 Ti3 Mn1 O12","formula_reduced":"NaNd3Ti3MnO12","formula_anonymous":"ABC3D3E12","energy":-175.88603215,"energy_per_atom":-8.7943016075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-165.97403215,"band_gap":1.0561999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0172513,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.519000Z","spacegroup":1}]}