{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=32","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=30","results":[{"id":"mp-1207478","created_at":"2022-09-04T14:47:18.959036Z","structure_string":"Zr2 Cl8 O32\n1.0\n4.144648 6.840847 0.000000\n-4.144648 6.840847 0.000000\n0.000000 4.689225 13.090771\nZr Cl O\n2 8 32\ndirect\n0.466562 0.416814 0.172987 Zr\n0.416814 0.466562 0.672987 Zr\n0.649696 0.111329 0.333836 Cl\n0.111329 0.649696 0.833836 Cl\n0.761093 0.241171 0.011216 Cl\n0.241171 0.761093 0.511216 Cl\n0.428269 0.806052 0.081353 Cl\n0.806052 0.428269 0.581353 Cl\n0.070793 0.470861 0.243257 Cl\n0.470861 0.070793 0.743257 Cl\n0.554625 0.111064 0.252266 O\n0.111064 0.554625 0.752266 O\n0.196140 0.525987 0.283314 O\n0.525987 0.196140 0.783314 O\n0.882420 0.043985 0.036310 O\n0.043985 0.882420 0.536310 O\n0.546495 0.073502 0.433181 O\n0.073502 0.546495 0.933181 O\n0.847674 0.986376 0.318271 O\n0.986376 0.847674 0.818271 O\n0.369586 0.675132 0.049482 O\n0.675132 0.369586 0.549482 O\n0.329043 0.801196 0.408380 O\n0.801196 0.329043 0.908380 O\n0.220140 0.373952 0.156453 O\n0.373952 0.220140 0.656453 O\n0.619603 0.322225 0.305619 O\n0.322225 0.619603 0.805619 O\n0.493170 0.678487 0.181562 O\n0.678487 0.493170 0.681562 O\n0.012515 0.336563 0.319137 O\n0.336563 0.012515 0.819137 O\n0.352529 0.761315 0.584755 O\n0.761315 0.352529 0.084755 O\n0.638213 0.919846 0.703980 O\n0.919846 0.638213 0.203980 O\n0.585956 0.830503 0.009111 O\n0.830503 0.585956 0.509111 O\n0.267839 0.979265 0.100488 O\n0.979265 0.267839 0.600488 O\n0.550058 0.272357 0.041041 O\n0.272357 0.550058 0.541041 O\n","nsites":42,"nelements":3,"elements":["Zr","Cl","O"],"chemical_system":"Cl-O-Zr","density":2.187855561493796,"density_atomic":0.05657916573149652,"volume":742.3227164450645,"volume_molar":10.643742589947012,"formula_full":"Zr2 Cl8 O32","formula_reduced":"Zr(ClO4)4","formula_anonymous":"AB4C16","energy":-225.40796692,"energy_per_atom":-5.366856355238095,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-203.42396692,"band_gap":4.457599999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.32e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:07.382000Z","spacegroup":9},{"id":"mp-1185528","created_at":"2022-09-04T14:47:19.020887Z","structure_string":"La6 Eu2\n1.0\n3.778062 -6.543795 0.000000\n3.778062 6.543795 0.000000\n0.000000 0.000000 5.976904\nLa Eu\n6 2\ndirect\n0.163730 0.327460 0.250000 La\n0.672540 0.836270 0.250000 La\n0.163730 0.836270 0.250000 La\n0.836270 0.672540 0.750000 La\n0.327460 0.163730 0.750000 La\n0.836270 0.163730 0.750000 La\n0.333333 0.666667 0.750000 Eu\n0.666667 0.333333 0.250000 Eu\n","nsites":8,"nelements":2,"elements":["La","Eu"],"chemical_system":"Eu-La","density":6.39061006083301,"density_atomic":0.027069793624090694,"volume":295.5323602053774,"volume_molar":22.24671840364757,"formula_full":"La6 Eu2","formula_reduced":"La3Eu","formula_anonymous":"AB3","energy":-49.51721977,"energy_per_atom":-6.18965247125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.51721977,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.119339,"is_theoretical":true,"updated_at":"2021-11-28T01:38:07.242000Z","spacegroup":194},{"id":"mp-768693","created_at":"2022-09-04T14:47:18.960072Z","structure_string":"Li4 Mn4 P4 C4 O28\n1.0\n6.236605 0.000000 0.000000\n0.000000 9.412832 0.000000\n0.000000 4.833573 8.954425\nLi Mn P C O\n4 4 4 4 28\ndirect\n0.032963 0.261939 0.743982 Li\n0.467037 0.261939 0.243982 Li\n0.532963 0.738061 0.756018 Li\n0.967037 0.738061 0.256018 Li\n0.746062 0.327495 0.938349 Mn\n0.753938 0.327495 0.438349 Mn\n0.246062 0.672505 0.561651 Mn\n0.253938 0.672505 0.061651 Mn\n0.254198 0.425178 0.926172 P\n0.245802 0.425178 0.426172 P\n0.754198 0.574822 0.573828 P\n0.745802 0.574822 0.073828 P\n0.746391 0.047221 0.621767 C\n0.753609 0.047221 0.121767 C\n0.246391 0.952779 0.878233 C\n0.253609 0.952779 0.378233 C\n0.761208 0.101841 0.976081 O\n0.738792 0.101841 0.476081 O\n0.236517 0.095651 0.782107 O\n0.763968 0.170393 0.651179 O\n0.263483 0.095651 0.282107 O\n0.736032 0.170393 0.151179 O\n0.056872 0.323900 0.930925 O\n0.442543 0.311687 0.941636 O\n0.057457 0.311687 0.441636 O\n0.443128 0.323900 0.430925 O\n0.767306 0.414128 0.720770 O\n0.238209 0.465055 0.558398 O\n0.732694 0.414128 0.220770 O\n0.261791 0.465055 0.058398 O\n0.738209 0.534945 0.941602 O\n0.267306 0.585872 0.779230 O\n0.761791 0.534945 0.441602 O\n0.232694 0.585872 0.279230 O\n0.942543 0.688313 0.558364 O\n0.556872 0.676100 0.569075 O\n0.557457 0.688313 0.058364 O\n0.943128 0.676100 0.069075 O\n0.263968 0.829607 0.848821 O\n0.736517 0.904349 0.717893 O\n0.236032 0.829607 0.348821 O\n0.763483 0.904349 0.217893 O\n0.261208 0.898159 0.523919 O\n0.238792 0.898159 0.023919 O\n","nsites":44,"nelements":5,"elements":["Li","Mn","P","C","O"],"chemical_system":"C-Li-Mn-O-P","density":2.7401914385610233,"density_atomic":0.0837040414127601,"volume":525.6615959918574,"volume_molar":7.19456391633913,"formula_full":"Li4 Mn4 P4 C4 O28","formula_reduced":"LiMnPCO7","formula_anonymous":"ABCDE7","energy":-337.27572173000004,"energy_per_atom":-7.6653573120454555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-311.36772173,"band_gap":0.7426,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0020184,"is_theoretical":true,"updated_at":"2021-11-28T01:38:06.727000Z","spacegroup":14},{"id":"mp-1247654","created_at":"2022-09-04T14:47:18.965890Z","structure_string":"Sr1 Ca7 Ti2 Mn6 O24\n1.0\n7.695562 0.000000 0.000000\n0.000000 7.657284 0.001777\n0.000000 0.001777 7.657284\nSr Ca Ti Mn O\n1 7 2 6 24\ndirect\n0.250000 0.252770 0.252770 Sr\n0.250000 0.253415 0.746765 Ca\n0.250000 0.746765 0.253415 Ca\n0.250000 0.746538 0.746538 Ca\n0.750000 0.253387 0.253387 Ca\n0.750000 0.253356 0.746521 Ca\n0.750000 0.746521 0.253356 Ca\n0.750000 0.746590 0.746590 Ca\n0.999240 0.999077 0.999077 Ti\n0.500760 0.999077 0.999077 Ti\n0.999405 0.999363 0.500443 Mn\n0.999405 0.500443 0.999363 Mn\n0.999427 0.500467 0.500467 Mn\n0.500595 0.999363 0.500443 Mn\n0.500595 0.500443 0.999363 Mn\n0.500573 0.500467 0.500467 Mn\n0.997927 0.997966 0.253729 O\n0.999552 0.999546 0.746226 O\n0.997250 0.502746 0.250147 O\n0.999681 0.500313 0.749842 O\n0.502073 0.997966 0.253729 O\n0.500448 0.999546 0.746226 O\n0.502750 0.502746 0.250147 O\n0.500319 0.500313 0.749842 O\n0.250000 0.998260 0.998260 O\n0.250000 0.997164 0.503001 O\n0.250000 0.503001 0.997164 O\n0.250000 0.502796 0.502796 O\n0.750000 0.999508 0.999508 O\n0.750000 0.999737 0.500132 O\n0.750000 0.500132 0.999737 O\n0.750000 0.500328 0.500328 O\n0.997927 0.253729 0.997966 O\n0.997250 0.250147 0.502746 O\n0.999552 0.746226 0.999546 O\n0.999681 0.749842 0.500313 O\n0.502073 0.253729 0.997966 O\n0.502750 0.250147 0.502746 O\n0.500448 0.746226 0.999546 O\n0.500319 0.749842 0.500313 O\n","nsites":40,"nelements":5,"elements":["Sr","Ca","Ti","Mn","O"],"chemical_system":"Ca-Mn-O-Sr-Ti","density":4.333365297015199,"density_atomic":0.08864824935656342,"volume":451.2215445914888,"volume_molar":6.793299138686407,"formula_full":"Sr1 Ca7 Ti2 Mn6 O24","formula_reduced":"SrCa7Ti2Mn6O24","formula_anonymous":"AB2C6D7E24","energy":-313.25688008,"energy_per_atom":-7.831422001999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-286.76088008,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.2868792,"is_theoretical":true,"updated_at":"2021-11-28T01:38:03.243000Z","spacegroup":38},{"id":"mp-17922","created_at":"2022-09-04T14:47:18.965894Z","structure_string":"Ca8 P8 O28\n1.0\n8.531097 0.000000 0.000000\n0.000000 5.442179 0.000000\n0.000000 4.984165 12.920959\nCa P O\n8 8 28\ndirect\n0.387280 0.836638 0.409973 Ca\n0.887280 0.163362 0.090027 Ca\n0.612720 0.163362 0.590027 Ca\n0.112720 0.836638 0.909973 Ca\n0.182570 0.501767 0.242821 Ca\n0.682570 0.498233 0.257179 Ca\n0.817430 0.498233 0.757179 Ca\n0.317430 0.501767 0.742821 Ca\n0.513675 0.962126 0.818314 P\n0.013675 0.037874 0.681686 P\n0.486325 0.037874 0.181686 P\n0.986325 0.962126 0.318314 P\n0.763738 0.734719 0.972923 P\n0.263738 0.265281 0.527077 P\n0.236262 0.265281 0.027077 P\n0.736262 0.734719 0.472923 P\n0.346098 0.027909 0.838214 O\n0.846098 0.972091 0.661786 O\n0.653902 0.972091 0.161786 O\n0.153902 0.027909 0.338214 O\n0.604751 0.219395 0.766642 O\n0.104751 0.780605 0.733358 O\n0.395249 0.780605 0.233358 O\n0.895249 0.219395 0.266642 O\n0.527164 0.786840 0.752347 O\n0.027164 0.213160 0.747653 O\n0.472836 0.213160 0.247653 O\n0.972836 0.786840 0.252347 O\n0.748438 0.551653 0.085526 O\n0.248438 0.448347 0.414474 O\n0.251562 0.448347 0.914474 O\n0.751562 0.551653 0.585526 O\n0.913837 0.796513 0.431012 O\n0.413837 0.203487 0.068988 O\n0.086163 0.203487 0.568988 O\n0.586163 0.796513 0.931012 O\n0.652467 0.995029 0.456853 O\n0.152467 0.004971 0.043147 O\n0.347533 0.004971 0.543147 O\n0.847533 0.995029 0.956853 O\n0.647104 0.586540 0.412660 O\n0.147104 0.413460 0.087340 O\n0.352896 0.413460 0.587340 O\n0.852896 0.586540 0.912660 O\n","nsites":44,"nelements":3,"elements":["Ca","P","O"],"chemical_system":"Ca-O-P","density":2.8134561318154696,"density_atomic":0.07334664038345229,"volume":599.8911438883958,"volume_molar":8.210520248121213,"formula_full":"Ca8 P8 O28","formula_reduced":"Ca2P2O7","formula_anonymous":"A2B2C7","energy":-339.30090937,"energy_per_atom":-7.711384303863636,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-320.06490937,"band_gap":5.3635,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0037954,"is_theoretical":false,"updated_at":"2021-11-28T01:38:01.039000Z","spacegroup":14},{"id":"mp-32891","created_at":"2022-09-04T14:47:18.968114Z","structure_string":"Y16 S24\n1.0\n-4.176584 4.176584 12.480237\n4.176584 -4.176584 12.480237\n4.176584 4.176584 -12.480237\nY S\n16 24\ndirect\n0.350922 0.451086 0.379242 Y\n0.071843 0.971680 0.620758 Y\n0.664888 0.664888 0.000000 Y\n0.375000 0.006603 0.131603 Y\n0.678157 0.798914 0.399837 Y\n0.085112 0.585112 0.500000 Y\n0.875000 0.243397 0.868397 Y\n0.399078 0.278320 0.600163 Y\n0.721680 0.321843 0.120758 Y\n0.414888 0.914888 0.500000 Y\n0.993397 0.125000 0.368397 Y\n0.756603 0.625000 0.631603 Y\n0.201086 0.600922 0.879242 Y\n0.335112 0.335112 0.000000 Y\n0.028320 0.649078 0.100163 Y\n0.548914 0.928157 0.899837 Y\n0.003714 0.618915 0.253909 S\n0.573636 0.327536 0.613570 S\n0.365006 0.749805 0.746091 S\n0.384994 0.631085 0.884799 S\n0.746286 0.500195 0.115201 S\n0.713966 0.960066 0.386430 S\n0.343504 0.938126 0.246978 S\n0.036034 0.922464 0.746100 S\n0.903474 0.656496 0.594622 S\n0.691148 0.096526 0.753022 S\n0.176364 0.289934 0.253900 S\n0.710066 0.963966 0.886430 S\n0.077536 0.823636 0.113570 S\n0.061874 0.308852 0.405378 S\n0.672464 0.286034 0.246100 S\n0.368915 0.253714 0.753909 S\n0.250195 0.996286 0.615201 S\n0.039934 0.426364 0.753900 S\n0.499805 0.615006 0.246091 S\n0.058852 0.311874 0.905378 S\n0.406496 0.153474 0.094622 S\n0.381085 0.634994 0.384799 S\n0.688126 0.593504 0.746978 S\n0.846526 0.941148 0.253022 S\n","nsites":40,"nelements":2,"elements":["Y","S"],"chemical_system":"S-Y","density":4.179987681547378,"density_atomic":0.04593404869669872,"volume":870.8137239135814,"volume_molar":13.110407052868414,"formula_full":"Y16 S24","formula_reduced":"Y2S3","formula_anonymous":"A2B3","energy":-296.35131249,"energy_per_atom":-7.40878281225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-284.27931249,"band_gap":1.9018999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006383,"is_theoretical":true,"updated_at":"2021-11-28T01:38:07.526000Z","spacegroup":122},{"id":"mp-17006","created_at":"2022-09-04T14:47:18.969890Z","structure_string":"Sm2 Tl2 Mo4 O16\n1.0\n6.372136 0.000000 0.000000\n0.000000 6.372136 0.000000\n0.000000 0.000000 9.636922\nSm Tl Mo O\n2 2 4 16\ndirect\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.500000 Sm\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.500000 0.000000 0.250000 Mo\n0.000000 0.500000 0.250000 Mo\n0.500000 0.000000 0.750000 Mo\n0.000000 0.500000 0.750000 Mo\n0.801711 0.390196 0.138472 O\n0.198289 0.609804 0.138472 O\n0.390196 0.801711 0.861528 O\n0.390196 0.198289 0.138472 O\n0.609804 0.801711 0.138472 O\n0.198289 0.390196 0.861528 O\n0.801711 0.609804 0.861528 O\n0.609804 0.198289 0.861528 O\n0.890196 0.301711 0.638472 O\n0.698289 0.890196 0.638472 O\n0.301711 0.109804 0.638472 O\n0.890196 0.698289 0.361528 O\n0.109804 0.301711 0.361528 O\n0.109804 0.698289 0.638472 O\n0.301711 0.890196 0.361528 O\n0.698289 0.109804 0.361528 O\n","nsites":24,"nelements":4,"elements":["Sm","Tl","Mo","O"],"chemical_system":"Mo-O-Sm-Tl","density":5.725704402513538,"density_atomic":0.06133421696678189,"volume":391.2987103593122,"volume_molar":9.818566304126033,"formula_full":"Sm2 Tl2 Mo4 O16","formula_reduced":"SmTl(MoO4)2","formula_anonymous":"ABC2D8","energy":-193.38226378,"energy_per_atom":-8.057594324166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-169.58226378,"band_gap":3.5344,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0039181,"is_theoretical":false,"updated_at":"2021-11-28T01:38:05.844000Z","spacegroup":126},{"id":"mp-3316","created_at":"2022-09-04T14:47:26.826047Z","structure_string":"Ba2 Ce2 O6\n1.0\n-3.136778 3.161438 4.425836\n3.136778 -3.161438 4.425836\n3.136778 3.161438 -4.425836\nBa Ce O\n2 2 6\ndirect\n0.739759 0.750000 0.989759 Ba\n0.260241 0.250000 0.010241 Ba\n0.000000 0.500000 0.500000 Ce\n0.500000 0.000000 0.500000 Ce\n0.295756 0.795756 0.000000 O\n0.704244 0.704244 0.500000 O\n0.704244 0.204244 0.000000 O\n0.295756 0.295756 0.500000 O\n0.831052 0.250000 0.581052 O\n0.168948 0.750000 0.418948 O\n","nsites":10,"nelements":3,"elements":["Ba","Ce","O"],"chemical_system":"Ba-Ce-O","density":6.156414677180367,"density_atomic":0.05696082084217116,"volume":175.55926779405647,"volume_molar":10.572426223783427,"formula_full":"Ba2 Ce2 O6","formula_reduced":"BaCeO3","formula_anonymous":"ABC3","energy":-81.28615542999998,"energy_per_atom":-8.128615542999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.16415543,"band_gap":2.2112,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.4e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:38:12.463000Z","spacegroup":74},{"id":"mp-17004","created_at":"2022-09-04T14:47:18.983777Z","structure_string":"U4 O4 F16\n1.0\n-5.928528 5.928528 2.933782\n5.928528 -5.928528 2.933782\n5.928528 5.928528 -2.933782\nU O F\n4 4 16\ndirect\n0.125000 0.951674 0.326674 U\n0.201674 0.875000 0.826674 U\n0.048326 0.375000 0.173326 U\n0.625000 0.798326 0.673326 U\n0.625000 0.644945 0.519945 O\n0.125000 0.105055 0.480055 O\n0.355055 0.875000 0.980055 O\n0.894945 0.375000 0.019945 O\n0.365874 0.600877 0.106451 F\n0.740578 0.634126 0.235003 F\n0.399123 0.505575 0.764997 F\n0.494425 0.259422 0.893549 F\n0.287664 0.577431 0.419627 F\n0.131963 0.712336 0.289768 F\n0.422569 0.842196 0.710232 F\n0.157804 0.868037 0.580373 F\n0.092196 0.172569 0.210232 F\n0.962336 0.881963 0.789768 F\n0.118037 0.907804 0.080373 F\n0.827431 0.037664 0.919627 F\n0.850877 0.115874 0.606451 F\n0.755575 0.149123 0.264997 F\n0.884126 0.490578 0.735003 F\n0.509422 0.244425 0.393549 F\n","nsites":24,"nelements":3,"elements":["U","O","F"],"chemical_system":"F-O-U","density":5.3145965025547355,"density_atomic":0.058187494867929394,"volume":412.4597571088738,"volume_molar":10.349544646437705,"formula_full":"U4 O4 F16","formula_reduced":"UOF4","formula_anonymous":"ABC4","energy":-181.68326355,"energy_per_atom":-7.57013598125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-171.54326355,"band_gap":1.9526,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":6e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:38:02.281000Z","spacegroup":122},{"id":"mp-1046402","created_at":"2022-09-04T14:47:18.991654Z","structure_string":"Sr4 Mn4 Zn4 P8 O32\n1.0\n-1.464135 6.428361 -2.465700\n-10.839943 0.060236 2.246199\n3.901310 6.367981 5.953337\nSr Mn Zn P O\n4 4 4 8 32\ndirect\n0.751738 0.401164 0.046963 Sr\n0.751759 0.901167 0.046937 Sr\n0.248239 0.598856 0.953046 Sr\n0.248258 0.098829 0.953054 Sr\n0.277661 0.466544 0.558383 Mn\n0.722334 0.033437 0.441618 Mn\n0.277620 0.966498 0.558387 Mn\n0.722402 0.533511 0.441598 Mn\n0.730732 0.324136 0.645029 Zn\n0.730727 0.824136 0.645015 Zn\n0.269274 0.675863 0.354985 Zn\n0.269268 0.175865 0.354974 Zn\n0.193745 0.418623 0.224829 P\n0.193737 0.918635 0.224836 P\n0.806260 0.581364 0.775169 P\n0.806256 0.081382 0.775172 P\n0.720534 0.230176 0.298545 P\n0.720535 0.730176 0.298536 P\n0.279469 0.769823 0.701460 P\n0.279463 0.269822 0.701455 P\n0.649303 0.550483 0.904643 O\n0.649322 0.050480 0.904636 O\n0.350681 0.449519 0.095363 O\n0.350686 0.949517 0.095356 O\n0.259112 0.274619 0.213744 O\n0.259105 0.774623 0.213757 O\n0.740899 0.725378 0.786246 O\n0.740884 0.225384 0.786257 O\n0.025676 0.552361 0.777134 O\n0.025674 0.052364 0.777131 O\n0.974324 0.447638 0.222872 O\n0.974319 0.947637 0.222875 O\n0.420204 0.369623 0.697857 O\n0.420204 0.869628 0.697862 O\n0.579796 0.630373 0.302141 O\n0.579797 0.130370 0.302133 O\n0.174033 0.785470 0.580936 O\n0.174021 0.285455 0.580936 O\n0.825976 0.214541 0.419061 O\n0.825970 0.714533 0.419063 O\n0.128793 0.802284 0.866957 O\n0.128785 0.302288 0.866963 O\n0.871214 0.197717 0.133038 O\n0.871211 0.697707 0.133040 O\n0.191333 0.513693 0.384143 O\n0.191324 0.013701 0.384147 O\n0.808675 0.486303 0.615852 O\n0.808667 0.986307 0.615861 O\n0.586579 0.371740 0.359338 O\n0.586584 0.871736 0.359342 O\n0.413418 0.628263 0.640656 O\n0.413417 0.128258 0.640666 O\n","nsites":52,"nelements":5,"elements":["Sr","Mn","Zn","P","O"],"chemical_system":"Mn-O-P-Sr-Zn","density":3.9901248946325905,"density_atomic":0.07850478761653636,"volume":662.3799844411865,"volume_molar":7.671049044060451,"formula_full":"Sr4 Mn4 Zn4 P8 O32","formula_reduced":"SrMnZn(PO4)2","formula_anonymous":"ABCD2E8","energy":-392.81947884,"energy_per_atom":-7.554220746923077,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-364.16347884,"band_gap":3.2141,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:05.368000Z","spacegroup":2},{"id":"mp-1227349","created_at":"2022-09-04T14:47:18.999165Z","structure_string":"Ba1 Zn1 In3\n1.0\n-2.415606 2.415606 6.098536\n2.415606 -2.415606 6.098536\n2.415606 2.415606 -6.098536\nBa Zn In\n1 1 3\ndirect\n0.003601 0.003601 0.000000 Ba\n0.615591 0.615591 0.000000 Zn\n0.743647 0.243647 0.500000 In\n0.243647 0.743647 0.500000 In\n0.393514 0.393514 0.000000 In\n","nsites":5,"nelements":3,"elements":["Ba","Zn","In"],"chemical_system":"Ba-In-Zn","density":6.383361897507691,"density_atomic":0.03512628509484509,"volume":142.34354662041298,"volume_molar":17.144257480514984,"formula_full":"Ba1 Zn1 In3","formula_reduced":"BaZnIn3","formula_anonymous":"ABC3","energy":-13.18032521,"energy_per_atom":-2.636065042,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.18032521,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017893,"is_theoretical":true,"updated_at":"2021-11-28T01:38:01.974000Z","spacegroup":107},{"id":"mp-1228388","created_at":"2022-09-04T14:47:17.820675Z","structure_string":"Ba6 Ti2 Nb8 O30\n1.0\n12.739758 0.000000 0.000000\n0.000000 4.124253 0.000000\n0.000000 0.028725 12.674583\nBa Ti Nb O\n6 2 8 30\ndirect\n0.752810 0.967991 0.504794 Ba\n0.247190 0.967991 0.004794 Ba\n0.927843 0.958254 0.169798 Ba\n0.583793 0.948705 0.824435 Ba\n0.416207 0.948705 0.324435 Ba\n0.072157 0.958254 0.669798 Ba\n0.831036 0.498610 0.713378 Ti\n0.168964 0.498610 0.213378 Ti\n0.676143 0.489227 0.284209 Nb\n0.323857 0.489227 0.784209 Nb\n0.541288 0.484968 0.575864 Nb\n0.964254 0.485960 0.425134 Nb\n0.458712 0.484968 0.075864 Nb\n0.035746 0.485960 0.925134 Nb\n0.748838 0.398978 0.993555 Nb\n0.251162 0.398978 0.493555 Nb\n0.829575 0.925905 0.706472 O\n0.672004 0.943327 0.294541 O\n0.327996 0.943327 0.794541 O\n0.170425 0.925905 0.206472 O\n0.541512 0.943219 0.578344 O\n0.956374 0.944066 0.422142 O\n0.458488 0.943219 0.078344 O\n0.043626 0.944066 0.922142 O\n0.751067 0.947987 0.999340 O\n0.248933 0.947987 0.499340 O\n0.093196 0.451784 0.508832 O\n0.405174 0.451007 0.492544 O\n0.594826 0.451007 0.992544 O\n0.906804 0.451784 0.008832 O\n0.746172 0.447638 0.841922 O\n0.756973 0.450643 0.156393 O\n0.253828 0.447638 0.341922 O\n0.243027 0.450643 0.656393 O\n0.890597 0.443379 0.569293 O\n0.609243 0.442343 0.433095 O\n0.390757 0.442343 0.933095 O\n0.109403 0.443379 0.069293 O\n0.679022 0.445580 0.642458 O\n0.817404 0.443455 0.361310 O\n0.320978 0.445580 0.142458 O\n0.182596 0.443455 0.861310 O\n0.031058 0.445795 0.282960 O\n0.466830 0.440177 0.719187 O\n0.533170 0.440177 0.219187 O\n0.968942 0.445795 0.782960 O\n","nsites":46,"nelements":4,"elements":["Ba","Ti","Nb","O"],"chemical_system":"Ba-Nb-O-Ti","density":5.343388243852074,"density_atomic":0.06907448801676724,"volume":665.9477517782526,"volume_molar":8.71832847829169,"formula_full":"Ba6 Ti2 Nb8 O30","formula_reduced":"Ba3TiNb4O15","formula_anonymous":"AB3C4D15","energy":-406.50781961,"energy_per_atom":-8.83712651326087,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-385.89781961,"band_gap":2.3023,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0036713,"is_theoretical":true,"updated_at":"2021-11-28T01:38:06.490000Z","spacegroup":7}]}