{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-total_magnetization&page=10163","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-total_magnetization&page=10161","results":[{"id":"mp-1185534","created_at":"2022-09-04T14:46:20.481226Z","structure_string":"Ho1 Mg149\n1.0\n13.878054 -8.012663 -0.000007\n-0.000152 16.025064 0.000014\n-0.000000 0.000013 15.656133\nHo Mg\n1 149\ndirect\n0.999992 0.999971 0.000024 Ho\n0.600039 0.200077 0.999999 Mg\n0.799371 0.200631 0.999999 Mg\n0.401261 0.200630 1.000000 Mg\n0.002690 0.204616 0.999999 Mg\n0.201926 0.204611 0.999998 Mg\n0.000157 0.400224 0.999997 Mg\n0.400069 0.400222 0.999999 Mg\n0.600039 0.399958 0.000002 Mg\n0.799925 0.399964 0.000002 Mg\n0.201487 0.402972 0.999999 Mg\n0.799368 0.598735 1.000000 Mg\n0.200460 0.600232 0.000001 Mg\n0.399774 0.600232 0.000001 Mg\n0.599774 0.599931 0.999995 Mg\n0.000159 0.599930 0.999998 Mg\n0.597032 0.798521 0.999999 Mg\n0.201485 0.798518 0.000002 Mg\n0.002681 0.798068 0.999996 Mg\n0.795367 0.798054 0.000000 Mg\n0.399771 0.799545 0.999997 Mg\n0.795368 0.997317 0.999998 Mg\n0.201932 0.997316 0.999999 Mg\n0.400075 0.999846 0.000000 Mg\n0.599774 0.999849 0.000000 Mg\n0.867905 0.132093 0.164746 Mg\n0.264177 0.132088 0.164747 Mg\n0.867914 0.735821 0.164749 Mg\n0.666664 0.333332 0.166068 Mg\n0.667317 0.133021 0.166510 Mg\n0.465708 0.133020 0.166511 Mg\n0.866982 0.332683 0.166506 Mg\n0.465703 0.332686 0.166510 Mg\n0.866979 0.534298 0.166510 Mg\n0.667312 0.534293 0.166508 Mg\n0.466636 0.533362 0.167182 Mg\n0.066727 0.533365 0.167181 Mg\n0.466637 0.933273 0.167179 Mg\n0.267107 0.534218 0.167267 Mg\n0.267109 0.732892 0.167268 Mg\n0.465780 0.732892 0.167264 Mg\n0.067972 0.335433 0.167592 Mg\n0.267463 0.335435 0.167588 Mg\n0.067969 0.732537 0.167589 Mg\n0.664566 0.732539 0.167592 Mg\n0.664569 0.932031 0.167592 Mg\n0.267461 0.932028 0.167590 Mg\n0.067872 0.135752 0.169460 Mg\n0.067881 0.932123 0.169462 Mg\n0.864248 0.932128 0.169461 Mg\n0.399632 0.199818 0.332833 Mg\n0.800185 0.199814 0.332830 Mg\n0.800184 0.600372 0.332834 Mg\n0.599949 0.199892 0.332703 Mg\n0.599946 0.400054 0.332705 Mg\n0.800106 0.400051 0.332705 Mg\n0.200559 0.000028 0.333456 Mg\n0.799471 0.000031 0.333457 Mg\n0.200559 0.200531 0.333458 Mg\n0.999967 0.200525 0.333454 Mg\n0.999970 0.799442 0.333453 Mg\n0.799474 0.799446 0.333456 Mg\n0.599753 0.000159 0.333699 Mg\n0.400404 0.000158 0.333705 Mg\n0.999838 0.400245 0.333701 Mg\n0.400409 0.400246 0.333702 Mg\n0.999843 0.599593 0.333699 Mg\n0.599756 0.599595 0.333701 Mg\n0.400114 0.599884 0.333586 Mg\n0.199766 0.599882 0.333585 Mg\n0.400116 0.800229 0.333585 Mg\n0.200168 0.400336 0.334090 Mg\n0.599672 0.799835 0.334091 Mg\n0.200164 0.799835 0.334092 Mg\n0.000002 -0.000000 0.334762 Mg\n0.267066 0.133532 0.500000 Mg\n0.866468 0.133534 0.499998 Mg\n0.066783 0.133566 0.499998 Mg\n0.667111 0.134072 0.500001 Mg\n0.466959 0.134073 0.500001 Mg\n0.466965 0.332894 0.499999 Mg\n0.865932 0.332892 0.500000 Mg\n0.666669 0.333331 0.500002 Mg\n0.266689 0.333480 0.500002 Mg\n0.066793 0.333484 0.499996 Mg\n0.865930 0.533043 0.499999 Mg\n0.667112 0.533045 0.499999 Mg\n0.467020 0.532980 0.500000 Mg\n0.065964 0.532979 0.500001 Mg\n0.266749 0.533494 0.500000 Mg\n0.866466 0.732935 0.499998 Mg\n0.666518 0.733308 0.500003 Mg\n0.066790 0.733312 0.499997 Mg\n0.266745 0.733253 0.499999 Mg\n0.466508 0.733255 0.499999 Mg\n0.066787 0.933219 0.500000 Mg\n0.866428 0.933214 0.500001 Mg\n0.266688 0.933211 0.500005 Mg\n0.666519 0.933210 0.500000 Mg\n0.467017 0.934034 0.499999 Mg\n0.999999 0.999999 0.665238 Mg\n0.200164 0.400330 0.665910 Mg\n0.599669 0.799838 0.665907 Mg\n0.200167 0.799835 0.665906 Mg\n0.400115 0.599884 0.666413 Mg\n0.199769 0.599885 0.666410 Mg\n0.400120 0.800234 0.666416 Mg\n0.599756 0.000162 0.666300 Mg\n0.400406 0.000161 0.666297 Mg\n0.999840 0.400245 0.666299 Mg\n0.400403 0.400247 0.666296 Mg\n0.999844 0.599592 0.666297 Mg\n0.599749 0.599592 0.666300 Mg\n0.200555 0.000025 0.666545 Mg\n0.799469 0.000030 0.666544 Mg\n0.200557 0.200531 0.666545 Mg\n0.999974 0.200533 0.666543 Mg\n0.999973 0.799441 0.666541 Mg\n0.799468 0.799439 0.666542 Mg\n0.599947 0.199892 0.667295 Mg\n0.599948 0.400055 0.667301 Mg\n0.800110 0.400058 0.667296 Mg\n0.399628 0.199816 0.667169 Mg\n0.800185 0.199813 0.667161 Mg\n0.800187 0.600377 0.667167 Mg\n0.067865 0.135747 0.830539 Mg\n0.067878 0.932118 0.830532 Mg\n0.864255 0.932133 0.830541 Mg\n0.067971 0.335433 0.832408 Mg\n0.267464 0.335435 0.832411 Mg\n0.067973 0.732536 0.832408 Mg\n0.664566 0.732542 0.832412 Mg\n0.664569 0.932030 0.832409 Mg\n0.267464 0.932029 0.832408 Mg\n0.267111 0.534222 0.832736 Mg\n0.267106 0.732888 0.832731 Mg\n0.465780 0.732890 0.832732 Mg\n0.466633 0.533361 0.832819 Mg\n0.066731 0.533361 0.832822 Mg\n0.466638 0.933272 0.832821 Mg\n0.667319 0.133019 0.833490 Mg\n0.465702 0.133017 0.833489 Mg\n0.866981 0.332680 0.833490 Mg\n0.465703 0.332684 0.833490 Mg\n0.866983 0.534296 0.833491 Mg\n0.667317 0.534294 0.833494 Mg\n0.666666 0.333329 0.833943 Mg\n0.867906 0.132088 0.835254 Mg\n0.264185 0.132092 0.835254 Mg\n0.867911 0.735820 0.835254 Mg\n","nsites":150,"nelements":2,"elements":["Ho","Mg"],"chemical_system":"Ho-Mg","density":1.805769397868543,"density_atomic":0.04308050541258614,"volume":3481.853301474428,"volume_molar":13.978807124766481,"formula_full":"Ho1 Mg149","formula_reduced":"HoMg149","formula_anonymous":"AB149","energy":-246.879873,"energy_per_atom":-1.64586582,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-246.879873,"band_gap":0.2799,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001821,"is_theoretical":true,"updated_at":"2021-11-28T01:37:26.075000Z","spacegroup":187},{"id":"mp-1104352","created_at":"2022-09-04T14:41:12.416861Z","structure_string":"Li2 Zn2 I2 O8\n1.0\n0.000000 0.000000 -6.290038\n0.000000 -5.504980 3.145019\n-5.886309 0.000000 0.000000\nLi Zn I O\n2 2 2 8\ndirect\n0.999217 0.870999 0.250000 Li\n0.128218 0.129001 0.750000 Li\n0.562602 0.000000 0.500000 Zn\n0.562602 0.000000 0.000000 Zn\n0.091917 0.436935 0.250000 I\n0.654983 0.563065 0.750000 I\n0.820783 0.087137 0.250000 O\n0.733646 0.912863 0.750000 O\n0.324968 0.835443 0.250000 O\n0.489525 0.164557 0.750000 O\n0.243003 0.375036 0.486172 O\n0.867966 0.624964 0.513828 O\n0.243003 0.375036 0.013828 O\n0.867966 0.624964 0.986172 O\n","nsites":14,"nelements":4,"elements":["Li","Zn","I","O"],"chemical_system":"I-Li-O-Zn","density":4.289422413539467,"density_atomic":0.0686872239737841,"volume":203.82247512788388,"volume_molar":8.767483109083685,"formula_full":"Li2 Zn2 I2 O8","formula_reduced":"LiZnIO4","formula_anonymous":"ABCD4","energy":-68.64638302,"energy_per_atom":-4.903313072857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.15038301999999,"band_gap":2.8646000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001821,"is_theoretical":false,"updated_at":"2021-11-28T01:35:14.163000Z","spacegroup":40},{"id":"mp-1205384","created_at":"2022-09-04T14:42:25.571349Z","structure_string":"La4 Te8\n1.0\n4.579984 0.000000 0.000000\n0.000000 9.268673 0.000000\n0.000000 0.000000 9.269246\nLa Te\n4 8\ndirect\n0.975109 0.750000 0.726708 La\n0.024891 0.250000 0.726708 La\n0.500000 0.000000 0.272925 La\n0.500000 0.500000 0.272925 La\n0.000000 0.000000 0.001272 Te\n0.000000 0.500000 0.001272 Te\n0.433885 0.750000 0.999626 Te\n0.566115 0.250000 0.999626 Te\n0.993849 0.750000 0.366609 Te\n0.006151 0.250000 0.366609 Te\n0.500000 0.000000 0.633324 Te\n0.500000 0.500000 0.633324 Te\n","nsites":12,"nelements":2,"elements":["La","Te"],"chemical_system":"La-Te","density":6.652664498216938,"density_atomic":0.03049687337592309,"volume":393.48295978019354,"volume_molar":19.74674808714787,"formula_full":"La4 Te8","formula_reduced":"LaTe2","formula_anonymous":"AB2","energy":-65.06946232,"energy_per_atom":-5.422455193333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.69346232,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001821,"is_theoretical":false,"updated_at":"2021-11-28T01:35:45.731000Z","spacegroup":28},{"id":"mp-1077883","created_at":"2022-09-04T14:48:18.322136Z","structure_string":"In2 Rh3 S2\n1.0\n4.857784 -2.849997 0.000000\n4.857784 2.849997 0.000000\n3.185728 0.000000 4.644532\nIn Rh S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.500000 Rh\n0.500000 0.000000 0.000000 Rh\n0.000000 0.500000 0.000000 Rh\n0.715416 0.715416 0.715416 S\n0.284584 0.284584 0.284584 S\n","nsites":7,"nelements":3,"elements":["In","Rh","S"],"chemical_system":"In-Rh-S","density":7.77927234672973,"density_atomic":0.05443064515400881,"volume":128.60402407860218,"volume_molar":11.063879075768167,"formula_full":"In2 Rh3 S2","formula_reduced":"In2Rh3S2","formula_anonymous":"A2B2C3","energy":-40.35162552,"energy_per_atom":-5.764517931428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.34562552,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000182,"is_theoretical":false,"updated_at":"2021-11-28T01:38:46.189000Z","spacegroup":166},{"id":"mp-1181198","created_at":"2022-09-04T14:47:55.771905Z","structure_string":"H12 C4 I4\n1.0\n4.775167 0.000000 0.000000\n0.000000 7.237313 0.000000\n0.000000 0.000000 10.250821\nH C I\n12 4 4\ndirect\n0.080938 0.250000 0.590165 H\n0.580938 0.250000 0.909835 H\n0.919062 0.750000 0.409835 H\n0.419062 0.750000 0.090165 H\n0.782101 0.375864 0.651688 H\n0.282101 0.124136 0.848312 H\n0.217899 0.875864 0.348312 H\n0.717899 0.624136 0.151688 H\n0.217899 0.624136 0.348312 H\n0.717899 0.875864 0.151688 H\n0.782101 0.124136 0.651688 H\n0.282101 0.375864 0.848312 H\n0.854178 0.250000 0.602760 C\n0.354178 0.250000 0.897240 C\n0.145822 0.750000 0.397240 C\n0.645822 0.750000 0.102760 C\n0.667879 0.250000 0.411158 I\n0.167879 0.250000 0.088842 I\n0.332121 0.750000 0.588842 I\n0.832121 0.750000 0.911158 I\n","nsites":20,"nelements":3,"elements":["H","C","I"],"chemical_system":"C-H-I","density":2.6612534006963466,"density_atomic":0.05645539179389849,"volume":354.2619998637851,"volume_molar":10.667078145494074,"formula_full":"H12 C4 I4","formula_reduced":"H3CI","formula_anonymous":"ABC3","energy":-87.1975577,"energy_per_atom":-4.359877885,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.68155770000001,"band_gap":3.3729,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000182,"is_theoretical":false,"updated_at":"2021-11-28T01:38:15.772000Z","spacegroup":62},{"id":"mp-1221097","created_at":"2022-09-04T14:46:55.934621Z","structure_string":"Na1 Bi1 Se2\n1.0\n4.259361 0.000000 0.000000\n0.000000 4.259361 0.000000\n0.000000 0.000000 5.836409\nNa Bi Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n","nsites":4,"nelements":3,"elements":["Na","Bi","Se"],"chemical_system":"Bi-Na-Se","density":6.114441072637583,"density_atomic":0.037776817906306374,"volume":105.88504330673784,"volume_molar":15.941365879296777,"formula_full":"Na1 Bi1 Se2","formula_reduced":"NaBiSe2","formula_anonymous":"ABC2","energy":-15.69692243,"energy_per_atom":-3.9242306075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.75292243,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000182,"is_theoretical":true,"updated_at":"2021-11-28T01:37:45.269000Z","spacegroup":123},{"id":"mp-1073227","created_at":"2022-09-04T14:43:01.758030Z","structure_string":"Mg4 Si6\n1.0\n2.289686 4.660615 0.000000\n-2.289686 4.660615 0.000000\n0.000000 2.034569 8.053415\nMg Si\n4 6\ndirect\n0.168371 0.168371 0.960475 Mg\n0.831629 0.831629 0.039525 Mg\n0.048129 0.048129 0.656882 Mg\n0.951871 0.951871 0.343118 Mg\n0.368819 0.368819 0.587383 Si\n0.271719 0.271719 0.322293 Si\n0.728281 0.728281 0.677707 Si\n0.631181 0.631181 0.412617 Si\n0.479720 0.479720 0.856432 Si\n0.520280 0.520280 0.143568 Si\n","nsites":10,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.5672334083689563,"density_atomic":0.05817960492040938,"volume":171.88153844771134,"volume_molar":10.350948185774696,"formula_full":"Mg4 Si6","formula_reduced":"Mg2Si3","formula_anonymous":"A2B3","energy":-37.1722074,"energy_per_atom":-3.7172207399999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.5982074,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000182,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.144000Z","spacegroup":12},{"id":"mp-1203781","created_at":"2022-09-04T14:47:39.541228Z","structure_string":"Th4 B16 Ru16\n1.0\n-3.788055 3.788055 7.620715\n3.788055 -3.788055 7.620715\n3.788055 3.788055 -7.620715\nTh B Ru\n4 16 16\ndirect\n0.250000 0.250000 0.000000 Th\n0.750000 0.750000 0.000000 Th\n0.500000 0.000000 0.500000 Th\n0.000000 0.500000 0.500000 Th\n0.228307 0.914975 0.978652 B\n0.728307 0.749655 0.313332 B\n0.164975 0.978307 0.478652 B\n0.664975 0.186323 0.186668 B\n0.521693 0.335025 0.521348 B\n0.021693 0.500345 0.186668 B\n0.585025 0.271693 0.021348 B\n0.085025 0.063677 0.313332 B\n0.436323 0.414975 0.686668 B\n0.936323 0.249655 0.021348 B\n0.999655 0.478307 0.813332 B\n0.499655 0.686323 0.521348 B\n0.313677 0.835025 0.813332 B\n0.813677 0.000345 0.478652 B\n0.750345 0.771693 0.686668 B\n0.250345 0.563677 0.978652 B\n0.543388 0.074261 0.240403 Ru\n0.043388 0.802984 0.469127 Ru\n0.324261 0.293388 0.740403 Ru\n0.824261 0.083857 0.030873 Ru\n0.206612 0.175739 0.259597 Ru\n0.706612 0.447016 0.030873 Ru\n0.425739 0.956612 0.759597 Ru\n0.925739 0.166143 0.469127 Ru\n0.333857 0.574261 0.530873 Ru\n0.833857 0.302984 0.759597 Ru\n0.052984 0.793388 0.969127 Ru\n0.552984 0.583857 0.259597 Ru\n0.416143 0.675739 0.969127 Ru\n0.916143 0.947016 0.740403 Ru\n0.697016 0.456612 0.530873 Ru\n0.197016 0.666143 0.240403 Ru\n","nsites":36,"nelements":3,"elements":["Th","B","Ru"],"chemical_system":"B-Ru-Th","density":10.319293134876135,"density_atomic":0.0823027292622271,"volume":437.40955279015543,"volume_molar":7.317060824086019,"formula_full":"Th4 B16 Ru16","formula_reduced":"Th(BRu)4","formula_anonymous":"AB4C4","energy":-304.80921564,"energy_per_atom":-8.466922656666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-304.80921564,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000182,"is_theoretical":false,"updated_at":"2021-11-28T01:38:20.483000Z","spacegroup":142},{"id":"mp-558557","created_at":"2022-09-04T14:45:00.762317Z","structure_string":"Ba1 La4 Cu5 O12\n1.0\n8.723169 0.000000 0.000000\n0.000000 8.723169 0.000000\n0.000000 0.000000 3.884433\nBa La Cu O\n1 4 5 12\ndirect\n0.500000 0.500000 0.500000 Ba\n0.126081 0.701379 0.500000 La\n0.873919 0.298621 0.500000 La\n0.701379 0.873919 0.500000 La\n0.298621 0.126081 0.500000 La\n0.834374 0.593961 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.593961 0.165626 0.000000 Cu\n0.406039 0.834374 0.000000 Cu\n0.165626 0.406039 0.000000 Cu\n0.589767 0.151816 0.500000 O\n0.265996 0.604969 0.000000 O\n0.787112 0.054892 0.000000 O\n0.212888 0.945108 0.000000 O\n0.604969 0.734004 0.000000 O\n0.054892 0.212888 0.000000 O\n0.734004 0.395031 0.000000 O\n0.848184 0.589767 0.500000 O\n0.410233 0.848184 0.500000 O\n0.151816 0.410233 0.500000 O\n0.395031 0.265996 0.000000 O\n0.945108 0.787112 0.000000 O\n","nsites":22,"nelements":4,"elements":["Ba","La","Cu","O"],"chemical_system":"Ba-Cu-La-O","density":6.756471887650641,"density_atomic":0.07442973503578922,"volume":295.5807915938623,"volume_molar":8.091041513320288,"formula_full":"Ba1 La4 Cu5 O12","formula_reduced":"BaLa4Cu5O12","formula_anonymous":"AB4C5D12","energy":-155.28712007,"energy_per_atom":-7.058505457727272,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-147.04312007,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000182,"is_theoretical":true,"updated_at":"2021-11-28T01:36:48.241000Z","spacegroup":83},{"id":"mp-935811","created_at":"2022-09-04T14:43:14.574449Z","structure_string":"K1 Nb1 O3\n1.0\n4.057469 0.000000 0.000000\n0.000000 4.057469 0.000000\n0.000000 0.000000 4.057469\nK Nb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Nb\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n","nsites":5,"nelements":3,"elements":["K","Nb","O"],"chemical_system":"K-Nb-O","density":4.474689656035437,"density_atomic":0.07485216618554594,"volume":66.7983340335915,"volume_molar":8.045379401675731,"formula_full":"K1 Nb1 O3","formula_reduced":"KNbO3","formula_anonymous":"ABC3","energy":-40.27262741999999,"energy_per_atom":-8.054525484,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.21162742,"band_gap":1.4120999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001819,"is_theoretical":false,"updated_at":"2021-11-28T01:36:09.855000Z","spacegroup":221},{"id":"mp-760079","created_at":"2022-09-04T14:40:31.035960Z","structure_string":"Li6 V6 P16 O58\n1.0\n9.738131 0.000000 0.000000\n4.813627 8.468436 0.000000\n0.112307 0.085935 14.207870\nLi V P O\n6 6 16 58\ndirect\n0.685433 0.082701 0.060043 Li\n0.330836 0.336661 0.895464 Li\n0.905541 0.328301 0.440291 Li\n0.096375 0.666710 0.556447 Li\n0.055346 0.984025 0.996501 Li\n0.996878 0.000099 0.499068 Li\n0.003204 0.434847 0.240439 V\n0.995339 0.568987 0.755312 V\n0.566247 0.433915 0.748382 V\n0.436837 0.565487 0.248031 V\n0.561378 0.996435 0.257881 V\n0.431715 0.000528 0.743154 V\n0.682905 0.090235 0.842676 P\n0.692118 0.224179 0.341695 P\n0.214118 0.086610 0.342660 P\n0.341360 0.329812 0.131065 P\n0.328997 0.339149 0.631025 P\n0.090084 0.215637 0.839773 P\n0.914946 0.312771 0.658005 P\n0.221894 0.691921 0.846241 P\n0.775585 0.306884 0.156361 P\n0.088159 0.684760 0.340722 P\n0.911889 0.784216 0.159942 P\n0.671394 0.657446 0.367163 P\n0.659231 0.671061 0.868645 P\n0.781790 0.918115 0.659831 P\n0.303359 0.776263 0.659601 P\n0.306456 0.917244 0.158555 P\n0.808631 0.993863 0.576660 O\n0.648338 0.090627 0.333353 O\n0.787210 0.210620 0.073393 O\n0.653274 0.262914 0.830931 O\n0.518930 0.103500 0.826262 O\n0.488321 0.180714 0.170957 O\n0.378586 0.080111 0.331023 O\n0.217886 0.991339 0.072052 O\n0.265528 0.081198 0.830285 O\n0.474232 0.339257 0.679932 O\n0.538594 0.384105 0.330339 O\n0.331142 0.188625 0.674505 O\n0.341324 0.331879 0.026062 O\n0.329301 0.345873 0.527003 O\n0.188514 0.331950 0.172368 O\n0.374531 0.528846 0.835000 O\n0.339433 0.476170 0.175593 O\n0.082439 0.263067 0.333044 O\n0.011020 0.197716 0.743368 O\n0.979963 0.238274 0.565607 O\n0.009822 0.197111 0.923112 O\n0.097091 0.373506 0.830745 O\n0.180417 0.487216 0.673817 O\n0.911619 0.347501 0.164098 O\n0.085629 0.529214 0.322458 O\n0.260298 0.650950 0.327350 O\n0.797913 0.201914 0.249233 O\n0.793236 0.206201 0.424252 O\n0.202935 0.790026 0.577842 O\n0.741077 0.347550 0.670555 O\n0.916781 0.467737 0.676832 O\n0.084211 0.652049 0.833495 O\n0.819749 0.510594 0.324385 O\n0.916432 0.620684 0.171482 O\n0.992286 0.799968 0.075750 O\n0.021568 0.759914 0.433071 O\n0.988498 0.802864 0.256700 O\n0.915876 0.740193 0.666479 O\n0.651056 0.530082 0.821900 O\n0.617761 0.463275 0.169167 O\n0.815361 0.659449 0.823839 O\n0.661738 0.671527 0.972092 O\n0.673351 0.653755 0.471351 O\n0.667985 0.810703 0.323315 O\n0.458531 0.617374 0.671357 O\n0.524328 0.661778 0.320304 O\n0.735891 0.917332 0.166433 O\n0.799069 0.993521 0.757398 O\n0.758350 0.019496 0.933772 O\n0.618631 0.926166 0.670128 O\n0.524401 0.821015 0.819127 O\n0.461666 0.923089 0.175110 O\n0.350146 0.740762 0.169610 O\n0.200552 0.786798 0.930304 O\n0.204052 0.797495 0.754366 O\n0.344595 0.911991 0.664140 O\n0.191848 0.012683 0.428335 O\n0.197934 0.003617 0.249315 O\n","nsites":86,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.5096936972670516,"density_atomic":0.07339908640732538,"volume":1171.6767089272248,"volume_molar":8.204653565550345,"formula_full":"Li6 V6 P16 O58","formula_reduced":"Li3V3P8O29","formula_anonymous":"A3B3C8D29","energy":-656.56134985,"energy_per_atom":-7.634434300581396,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-606.51534985,"band_gap":1.2444,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001819,"is_theoretical":true,"updated_at":"2021-11-28T01:35:02.818000Z","spacegroup":1},{"id":"mp-1226760","created_at":"2022-09-04T14:40:10.174529Z","structure_string":"Ce4 Zr1 O10\n1.0\n-1.907646 1.907646 13.547218\n1.907646 -1.907646 13.547218\n1.907646 1.907646 -13.547218\nCe Zr O\n4 1 10\ndirect\n0.402673 0.402673 0.000000 Ce\n0.800917 0.800917 0.000000 Ce\n0.199083 0.199083 0.000000 Ce\n0.597327 0.597327 0.000000 Ce\n0.000000 0.000000 0.000000 Zr\n0.546321 0.046321 0.500000 O\n0.750000 0.250000 0.500000 O\n0.148138 0.648138 0.500000 O\n0.953679 0.453679 0.500000 O\n0.351862 0.851862 0.500000 O\n0.453679 0.953679 0.500000 O\n0.648138 0.148138 0.500000 O\n0.046321 0.546321 0.500000 O\n0.851862 0.351862 0.500000 O\n0.250000 0.750000 0.500000 O\n","nsites":15,"nelements":3,"elements":["Ce","Zr","O"],"chemical_system":"Ce-O-Zr","density":6.834855373458636,"density_atomic":0.07606512368286061,"volume":197.19944271095528,"volume_molar":7.917085345326192,"formula_full":"Ce4 Zr1 O10","formula_reduced":"Ce4ZrO10","formula_anonymous":"AB4C10","energy":-139.80433171,"energy_per_atom":-9.320288780666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-132.93433171,"band_gap":2.041300000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001818,"is_theoretical":true,"updated_at":"2021-11-28T01:34:51.550000Z","spacegroup":139}]}