{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10232","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10230","results":[{"id":"mp-1206147","created_at":"2022-09-04T14:44:54.231641Z","structure_string":"Lu2 Ga1 Ni2\n1.0\n-4.121557 0.000000 0.000000\n-2.060778 -2.648688 4.034245\n-2.060778 2.648688 4.034245\nLu Ga Ni\n2 1 2\ndirect\n0.202825 0.297175 0.297175 Lu\n0.797175 0.702825 0.702825 Lu\n0.000000 0.000000 0.000000 Ga\n0.500000 0.270638 0.729362 Ni\n0.500000 0.729362 0.270638 Ni\n","nsites":5,"nelements":3,"elements":["Lu","Ga","Ni"],"chemical_system":"Ga-Lu-Ni","density":10.124519593738514,"density_atomic":0.0567656512764338,"volume":88.08143459239663,"volume_molar":10.608775949162913,"formula_full":"Lu2 Ga1 Ni2","formula_reduced":"Lu2GaNi2","formula_anonymous":"AB2C2","energy":-26.74960892,"energy_per_atom":-5.349921784,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.74960892,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0075105,"is_theoretical":true,"updated_at":"2021-11-28T01:36:40.551000Z","spacegroup":71},{"id":"mp-1208510","created_at":"2022-09-04T14:44:54.818997Z","structure_string":"Sr2 Y1 Fe3 O8\n1.0\n3.909310 0.000000 0.000000\n0.000000 3.909310 0.000000\n0.000000 0.000000 11.948726\nSr Y Fe O\n2 1 3 8\ndirect\n0.500000 0.500000 0.151324 Sr\n0.500000 0.500000 0.848676 Sr\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.336037 Fe\n0.000000 0.000000 0.663963 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.180072 O\n0.000000 0.000000 0.819928 O\n0.000000 0.500000 0.382076 O\n0.000000 0.500000 0.617924 O\n0.500000 0.000000 0.382076 O\n0.500000 0.000000 0.617924 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n","nsites":14,"nelements":4,"elements":["Sr","Y","Fe","O"],"chemical_system":"Fe-O-Sr-Y","density":5.089369666549068,"density_atomic":0.0766666015655201,"volume":182.60885071363765,"volume_molar":7.854972878709661,"formula_full":"Sr2 Y1 Fe3 O8","formula_reduced":"Sr2YFe3O8","formula_anonymous":"AB2C3D8","energy":-110.15777691,"energy_per_atom":-7.868412636428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.89377691,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.9780645,"is_theoretical":true,"updated_at":"2021-11-28T01:36:42.488000Z","spacegroup":123},{"id":"mp-1213630","created_at":"2022-09-04T14:44:53.469489Z","structure_string":"In4 H10 Se6 O24\n1.0\n6.106440 0.000000 0.000000\n-3.018506 10.975009 0.000000\n-0.392554 -0.384906 11.714729\nIn H Se O\n4 10 6 24\ndirect\n0.000000 0.000000 0.500000 In\n0.707631 0.395869 0.266110 In\n0.292369 0.604131 0.733890 In\n0.000000 0.000000 0.000000 In\n0.223328 0.586666 0.091271 H\n0.776672 0.413334 0.908729 H\n0.296113 0.549806 0.395884 H\n0.703887 0.450194 0.604116 H\n0.395743 0.996969 0.162318 H\n0.604257 0.003031 0.837682 H\n0.857736 0.099777 0.545359 H\n0.142264 0.900223 0.454641 H\n0.933377 0.514211 0.238743 H\n0.066623 0.485789 0.761257 H\n0.736720 0.103216 0.239557 Se\n0.263280 0.896784 0.760443 Se\n0.413731 0.311335 0.513114 Se\n0.586269 0.688665 0.486886 Se\n0.459582 0.300058 0.992274 Se\n0.540418 0.699942 0.007726 Se\n0.777303 0.645385 0.415649 O\n0.222697 0.354615 0.584351 O\n0.779213 0.230385 0.323564 O\n0.220787 0.769615 0.676436 O\n0.807076 0.136957 0.107543 O\n0.192924 0.863043 0.892457 O\n0.435223 0.039010 0.237607 O\n0.564777 0.960990 0.762393 O\n0.861718 0.006751 0.297846 O\n0.138282 0.993249 0.702154 O\n0.370754 0.154685 0.953280 O\n0.629246 0.845315 0.046720 O\n0.454086 0.391968 0.389242 O\n0.545914 0.608032 0.610758 O\n0.672266 0.608317 0.067444 O\n0.327734 0.391683 0.932556 O\n0.381763 0.165286 0.489253 O\n0.618237 0.834714 0.510747 O\n0.243160 0.654720 0.039136 O\n0.756840 0.345280 0.960864 O\n0.685209 0.362340 0.587814 O\n0.314791 0.637660 0.412186 O\n0.459462 0.309432 0.137063 O\n0.540538 0.690568 0.862937 O\n","nsites":44,"nelements":4,"elements":["In","H","Se","O"],"chemical_system":"H-In-O-Se","density":2.8068974063412333,"density_atomic":0.056043784031696416,"volume":785.1004488760989,"volume_molar":10.745421395161479,"formula_full":"In4 H10 Se6 O24","formula_reduced":"In2H5(SeO4)3","formula_anonymous":"A2B3C5D12","energy":-227.97500011,"energy_per_atom":-5.1812500025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-211.48700011,"band_gap":1.9055,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.37e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:43.215000Z","spacegroup":2},{"id":"mp-15526","created_at":"2022-09-04T14:44:53.488746Z","structure_string":"Sr8 V8 Zn8 P16 O72\n1.0\n9.146868 0.000000 0.000000\n0.000000 9.261475 0.000000\n0.000000 0.000000 17.725251\nSr V Zn P O\n8 8 8 16 72\ndirect\n0.067752 0.361989 0.100166 Sr\n0.567752 0.638011 0.399834 Sr\n0.432248 0.861989 0.899834 Sr\n0.932248 0.138011 0.600166 Sr\n0.932248 0.638011 0.899834 Sr\n0.432248 0.361989 0.600166 Sr\n0.567752 0.138011 0.100166 Sr\n0.067752 0.861989 0.399834 Sr\n0.754811 0.494383 0.211065 V\n0.254811 0.505617 0.288935 V\n0.745189 0.994383 0.788935 V\n0.245189 0.005617 0.711065 V\n0.245189 0.505617 0.788935 V\n0.745189 0.494383 0.711065 V\n0.254811 0.005617 0.211065 V\n0.754811 0.994383 0.288935 V\n0.071915 0.305502 0.436238 Zn\n0.571915 0.694498 0.063762 Zn\n0.428085 0.805502 0.563762 Zn\n0.928085 0.194498 0.936238 Zn\n0.928085 0.694498 0.563762 Zn\n0.428085 0.305502 0.936238 Zn\n0.571915 0.194498 0.436238 Zn\n0.071915 0.805502 0.063762 Zn\n0.234057 0.070211 0.011918 P\n0.734057 0.929789 0.488082 P\n0.265943 0.570211 0.988082 P\n0.765943 0.429789 0.511918 P\n0.765943 0.929789 0.988082 P\n0.265943 0.070211 0.511918 P\n0.734057 0.429789 0.011918 P\n0.234057 0.570211 0.488082 P\n0.504346 0.255759 0.271938 P\n0.004346 0.744241 0.228062 P\n0.995654 0.755759 0.728062 P\n0.495654 0.244241 0.771938 P\n0.495654 0.744241 0.728062 P\n0.995654 0.255759 0.771938 P\n0.004346 0.244241 0.271938 P\n0.504346 0.755759 0.228062 P\n0.415588 0.360139 0.321724 O\n0.915588 0.639861 0.178276 O\n0.084412 0.860139 0.678276 O\n0.584412 0.139861 0.821724 O\n0.584412 0.639861 0.678276 O\n0.084412 0.360139 0.821724 O\n0.915588 0.139861 0.321724 O\n0.415588 0.860139 0.178276 O\n0.601951 0.334154 0.213636 O\n0.101951 0.665846 0.286364 O\n0.898049 0.834154 0.786364 O\n0.398049 0.165846 0.713636 O\n0.398049 0.665846 0.786364 O\n0.898049 0.334154 0.713636 O\n0.101951 0.165846 0.213636 O\n0.601951 0.834154 0.286364 O\n0.190277 0.915423 0.989127 O\n0.690277 0.084577 0.510873 O\n0.309723 0.415423 0.010873 O\n0.809723 0.584577 0.489127 O\n0.809723 0.084577 0.010873 O\n0.309723 0.915423 0.489127 O\n0.690277 0.584577 0.989127 O\n0.190277 0.415423 0.510873 O\n0.598647 0.158204 0.327958 O\n0.098647 0.841796 0.172042 O\n0.901353 0.658204 0.672042 O\n0.736492 0.543835 0.300134 O\n0.401353 0.341796 0.827958 O\n0.901353 0.158204 0.827958 O\n0.098647 0.341796 0.327958 O\n0.598647 0.658204 0.172042 O\n0.377405 0.104943 0.966898 O\n0.877405 0.895057 0.533102 O\n0.122595 0.604943 0.033102 O\n0.622595 0.395057 0.466898 O\n0.622595 0.895057 0.033102 O\n0.122595 0.104943 0.466898 O\n0.877405 0.395057 0.966898 O\n0.377405 0.604943 0.533102 O\n0.227621 0.080801 0.596897 O\n0.727621 0.919199 0.903103 O\n0.272379 0.580801 0.403103 O\n0.772379 0.419199 0.096897 O\n0.772379 0.919199 0.403103 O\n0.272379 0.080801 0.096897 O\n0.727621 0.419199 0.596897 O\n0.227621 0.580801 0.903103 O\n0.912279 0.846562 0.277714 O\n0.412279 0.153438 0.222286 O\n0.587721 0.346562 0.722286 O\n0.087721 0.653438 0.777714 O\n0.087721 0.153438 0.722286 O\n0.587721 0.846562 0.777714 O\n0.412279 0.653438 0.277714 O\n0.912279 0.346562 0.222286 O\n0.111999 0.680421 0.505712 O\n0.611999 0.319579 0.994288 O\n0.388001 0.180421 0.494288 O\n0.888001 0.819579 0.005712 O\n0.888001 0.319579 0.494288 O\n0.388001 0.680421 0.005712 O\n0.611999 0.819579 0.505712 O\n0.111999 0.180421 0.994288 O\n0.736492 0.043835 0.199866 O\n0.236492 0.956165 0.300134 O\n0.763508 0.543835 0.800134 O\n0.263508 0.456165 0.699866 O\n0.263508 0.956165 0.800134 O\n0.763508 0.043835 0.699866 O\n0.236492 0.456165 0.199866 O\n0.401353 0.841796 0.672042 O\n","nsites":112,"nelements":5,"elements":["Sr","V","Zn","P","O"],"chemical_system":"O-P-Sr-V-Zn","density":3.626481059822053,"density_atomic":0.07458870351496506,"volume":1501.5678611108845,"volume_molar":8.073797339555247,"formula_full":"Sr8 V8 Zn8 P16 O72","formula_reduced":"SrVZnP2O9","formula_anonymous":"ABCD2E9","energy":-849.1789325699999,"energy_per_atom":-7.581954755089285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-786.11493257,"band_gap":2.4493,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.096458,"is_theoretical":false,"updated_at":"2021-11-28T01:36:42.693000Z","spacegroup":61},{"id":"mp-2812","created_at":"2022-09-04T14:44:53.680009Z","structure_string":"Ho1 Fe5\n1.0\n4.985817 0.000000 0.000000\n-2.492908 4.317844 0.000000\n0.000000 0.000000 3.947159\nHo Fe\n1 5\ndirect\n0.000000 0.000000 0.000000 Ho\n0.333333 0.666667 0.000000 Fe\n0.666667 0.333333 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n","nsites":6,"nelements":2,"elements":["Ho","Fe"],"chemical_system":"Fe-Ho","density":8.679527092480908,"density_atomic":0.07060953438434564,"volume":84.97436008203191,"volume_molar":8.528792623415356,"formula_full":"Ho1 Fe5","formula_reduced":"HoFe5","formula_anonymous":"AB5","energy":-47.25584193,"energy_per_atom":-7.875973655,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.25584193,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.7124598,"is_theoretical":false,"updated_at":"2021-11-28T01:36:41.763000Z","spacegroup":191},{"id":"mp-1044533","created_at":"2022-09-04T14:44:53.691881Z","structure_string":"Ba1 Mg1 Co4 O8\n1.0\n2.655294 -4.599103 0.000000\n2.655294 4.599103 0.000000\n0.000000 0.000000 7.339320\nBa Mg Co O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.747033 Co\n0.666667 0.333333 0.747033 Co\n0.333333 0.666667 0.252967 Co\n0.666667 0.333333 0.252967 Co\n0.317119 0.317119 0.678084 O\n0.682881 0.000000 0.678084 O\n0.000000 0.682881 0.678084 O\n0.682881 0.682881 0.321916 O\n0.000000 0.317119 0.321916 O\n0.317119 0.000000 0.321916 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n","nsites":14,"nelements":4,"elements":["Ba","Mg","Co","O"],"chemical_system":"Ba-Co-Mg-O","density":4.866699317172938,"density_atomic":0.07810097691231703,"volume":179.25512014680203,"volume_molar":7.710711181962526,"formula_full":"Ba1 Mg1 Co4 O8","formula_reduced":"BaMg(CoO2)4","formula_anonymous":"ABC4D8","energy":-94.37021937,"energy_per_atom":-6.740729955,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.32221937,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9999623,"is_theoretical":true,"updated_at":"2021-11-28T01:36:41.086000Z","spacegroup":162},{"id":"mp-686729","created_at":"2022-09-04T14:44:53.708711Z","structure_string":"Na7 Al1 Sn11 P18 O72\n1.0\n-8.664177 0.000000 0.000000\n4.327740 7.955237 0.000000\n-0.038029 -0.857280 -21.382724\nNa Al Sn P O\n7 1 11 18 72\ndirect\n0.002740 0.999098 0.002065 Na\n0.332913 0.666866 0.166269 Na\n0.666663 0.333265 0.333188 Na\n0.999975 0.999938 0.499871 Na\n0.333095 0.666854 0.666831 Na\n0.660724 0.331274 0.833895 Na\n0.888011 0.116398 0.869227 Na\n0.461915 0.935064 0.883224 Al\n0.807706 0.612396 0.047358 Sn\n0.529763 0.059625 0.117002 Sn\n0.472574 0.945065 0.381754 Sn\n0.197105 0.394128 0.450635 Sn\n0.136146 0.272671 0.215883 Sn\n0.139304 0.279226 0.715564 Sn\n0.860857 0.721456 0.284704 Sn\n0.863867 0.725766 0.784402 Sn\n0.803030 0.606125 0.549143 Sn\n0.526847 0.054825 0.617673 Sn\n0.200791 0.396079 0.952911 Sn\n0.805849 0.902651 0.152449 P\n0.292509 0.000632 0.250201 P\n0.241039 0.770263 0.011013 P\n0.431116 0.568977 0.319335 P\n0.374990 0.333180 0.083206 P\n0.472445 0.236324 0.485674 P\n0.860206 0.430099 0.180639 P\n0.959023 0.333884 0.583501 P\n0.902260 0.097532 0.347284 P\n0.097321 0.902328 0.652845 P\n0.040839 0.666153 0.416416 P\n0.146785 0.576999 0.820539 P\n0.527335 0.763754 0.514138 P\n0.624784 0.675682 0.915958 P\n0.569053 0.430782 0.680513 P\n0.757969 0.230922 0.984574 P\n0.700216 0.995951 0.750616 P\n0.203063 0.095123 0.847975 P\n0.689698 0.260511 0.174333 O\n0.700748 0.132548 0.045019 O\n0.817960 0.828109 0.087604 O\n0.391417 0.171451 0.084830 O\n0.637912 0.922157 0.155022 O\n0.784341 0.782072 0.204432 O\n0.436322 0.041278 0.300616 O\n0.348488 0.954264 0.186981 O\n0.370304 0.838414 0.068139 O\n0.468349 0.751830 0.329548 O\n0.600174 0.561126 0.301763 O\n0.546402 0.490026 0.067151 O\n0.121022 0.843707 0.266133 O\n0.069592 0.775314 0.029428 O\n0.356723 0.594344 0.507889 O\n0.197808 0.583821 0.004201 O\n0.367301 0.465057 0.378436 O\n0.296553 0.496840 0.264321 O\n0.318313 0.379373 0.146346 O\n0.484345 0.161596 0.420951 O\n0.058159 0.504705 0.418186 O\n0.230331 0.291966 0.032758 O\n0.304485 0.255715 0.488278 O\n0.881854 0.551377 0.128724 O\n0.450675 0.115402 0.537585 O\n0.028606 0.411069 0.178450 O\n0.102926 0.374465 0.634007 O\n0.274934 0.162015 0.248590 O\n0.848815 0.504713 0.245604 O\n0.015027 0.287534 0.520275 O\n0.036639 0.169650 0.402417 O\n0.966300 0.201712 0.288298 O\n0.134755 0.085545 0.662963 O\n0.976611 0.072112 0.158777 O\n0.266337 0.894516 0.635026 O\n0.212512 0.823083 0.400718 O\n0.787659 0.176951 0.599579 O\n0.733286 0.105549 0.364996 O\n0.022042 0.931856 0.841040 O\n0.864976 0.914659 0.337142 O\n0.033554 0.798492 0.711917 O\n0.963144 0.830247 0.597666 O\n0.985052 0.712538 0.479741 O\n0.155922 0.499234 0.755374 O\n0.725840 0.838726 0.751688 O\n0.896938 0.625618 0.366117 O\n0.974099 0.590351 0.821602 O\n0.548841 0.884629 0.462262 O\n0.114708 0.444099 0.870513 O\n0.695414 0.744485 0.511756 O\n0.768256 0.712981 0.966773 O\n0.941565 0.495228 0.581882 O\n0.515577 0.838335 0.578965 O\n0.682615 0.623630 0.853677 O\n0.703322 0.502252 0.735658 O\n0.632981 0.534903 0.621480 O\n0.797323 0.415030 0.994884 O\n0.643228 0.405471 0.492157 O\n0.933230 0.228598 0.967233 O\n0.877194 0.155571 0.737854 O\n0.457000 0.513583 0.932287 O\n0.400144 0.438990 0.698179 O\n0.531394 0.247717 0.670311 O\n0.629816 0.148441 0.928668 O\n0.636504 0.032976 0.813814 O\n0.562054 0.958234 0.698689 O\n0.217916 0.215301 0.796040 O\n0.362845 0.067102 0.848713 O\n0.601319 0.832457 0.910767 O\n0.178802 0.172413 0.911361 O\n0.312713 0.868275 0.951927 O\n0.312495 0.744973 0.831678 O\n","nsites":109,"nelements":5,"elements":["Na","Al","Sn","P","O"],"chemical_system":"Al-Na-O-P-Sn","density":3.609028290871222,"density_atomic":0.07395763743256442,"volume":1473.8166845768658,"volume_molar":8.14268947610863,"formula_full":"Na7 Al1 Sn11 P18 O72","formula_reduced":"Na7AlSn11(PO4)18","formula_anonymous":"AB7C11D18E72","energy":-789.82816443,"energy_per_atom":-7.246129948899083,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-740.36416443,"band_gap":3.319,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0130019,"is_theoretical":true,"updated_at":"2021-11-28T01:36:45.043000Z","spacegroup":1},{"id":"mp-6389","created_at":"2022-09-04T14:44:54.063121Z","structure_string":"Na2 La4 Ru2 O12\n1.0\n6.016832 0.000000 0.000000\n0.000000 5.639769 0.000000\n0.000000 5.550245 8.098279\nNa La Ru O\n2 4 2 12\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.432392 0.771483 0.246592 La\n0.932392 0.228517 0.253408 La\n0.567608 0.228517 0.753408 La\n0.067608 0.771483 0.746592 La\n0.500000 0.500000 0.000000 Ru\n0.000000 0.500000 0.500000 Ru\n0.721655 0.733313 0.432593 O\n0.221655 0.266687 0.067407 O\n0.278345 0.266687 0.567407 O\n0.778345 0.733313 0.932593 O\n0.048989 0.614413 0.270383 O\n0.548989 0.385587 0.229617 O\n0.951011 0.385587 0.729617 O\n0.451011 0.614413 0.770383 O\n0.326592 0.839769 0.949140 O\n0.826592 0.160231 0.550860 O\n0.673408 0.160231 0.050860 O\n0.173408 0.839769 0.449140 O\n","nsites":20,"nelements":4,"elements":["Na","La","Ru","O"],"chemical_system":"La-Na-O-Ru","density":6.016869512652854,"density_atomic":0.07277933102403783,"volume":274.8032953668443,"volume_molar":8.27452063005496,"formula_full":"Na2 La4 Ru2 O12","formula_reduced":"NaLa2RuO6","formula_anonymous":"ABC2D6","energy":-156.19556346,"energy_per_atom":-7.809778173,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-147.95156346,"band_gap":0.4775,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9946925,"is_theoretical":false,"updated_at":"2021-11-28T01:36:44.447000Z","spacegroup":14},{"id":"mp-863396","created_at":"2022-09-04T14:44:54.107108Z","structure_string":"Li6 V6 P16 O58\n1.0\n-9.719309 0.000000 0.000000\n4.855319 8.485861 0.000000\n-0.035130 -0.347136 -14.382552\nLi V P O\n6 6 16 58\ndirect\n0.696169 0.919453 0.557497 Li\n0.093755 0.328378 0.062290 Li\n0.777358 0.687641 0.438227 Li\n0.221586 0.298689 0.559172 Li\n0.905435 0.674147 0.941631 Li\n0.993533 0.997127 0.008916 Li\n0.559030 0.567348 0.242392 V\n0.436716 0.430098 0.755201 V\n0.003093 0.568119 0.744466 V\n0.998398 0.434019 0.254225 V\n0.434323 0.996986 0.245241 V\n0.560769 0.003531 0.757760 V\n0.215121 0.919098 0.840637 P\n0.091750 0.780640 0.334843 P\n0.684200 0.913012 0.341851 P\n0.325784 0.661147 0.130440 P\n0.339871 0.663852 0.634620 P\n0.695446 0.781525 0.836280 P\n0.765916 0.676750 0.656098 P\n0.086952 0.319001 0.844462 P\n0.912653 0.683191 0.156353 P\n0.233423 0.323557 0.344005 P\n0.301413 0.215552 0.164620 P\n0.662414 0.336802 0.365070 P\n0.674299 0.341480 0.867449 P\n0.309789 0.081580 0.657797 P\n0.908967 0.221675 0.665752 P\n0.783534 0.080927 0.162019 P\n0.235090 0.000743 0.569485 O\n0.262968 0.920465 0.331185 O\n0.971237 0.760306 0.065447 O\n0.082662 0.741832 0.831992 O\n0.380016 0.924400 0.830880 O\n0.324362 0.808510 0.174530 O\n0.524753 0.905759 0.318502 O\n0.815890 0.002866 0.082244 O\n0.652586 0.914394 0.834119 O\n0.184839 0.656741 0.678497 O\n0.098317 0.624376 0.319852 O\n0.482225 0.816893 0.678153 O\n0.328228 0.654095 0.027445 O\n0.336160 0.657494 0.531688 O\n0.480954 0.669519 0.175119 O\n0.086652 0.474213 0.826379 O\n0.182539 0.508837 0.170441 O\n0.661695 0.743637 0.332644 O\n0.784210 0.799317 0.737871 O\n0.755044 0.745483 0.566369 O\n0.805818 0.800473 0.913327 O\n0.540543 0.618320 0.829517 O\n0.342959 0.519334 0.677378 O\n0.739123 0.648234 0.172093 O\n0.381180 0.482078 0.318757 O\n0.086304 0.344951 0.329606 O\n0.012795 0.801245 0.240207 O\n0.996094 0.774863 0.416247 O\n0.006920 0.227449 0.585385 O\n0.913762 0.656190 0.665940 O\n0.618064 0.517731 0.677915 O\n0.258093 0.347505 0.827412 O\n0.656051 0.481071 0.325960 O\n0.457521 0.379109 0.169643 O\n0.189489 0.197181 0.088403 O\n0.242023 0.264200 0.435787 O\n0.216683 0.199124 0.263847 O\n0.339470 0.254597 0.666269 O\n0.818051 0.492288 0.826736 O\n0.916820 0.529682 0.170866 O\n0.519690 0.330639 0.822498 O\n0.673800 0.348046 0.970365 O\n0.669960 0.338057 0.467837 O\n0.526909 0.184524 0.316037 O\n0.901317 0.377246 0.679545 O\n0.818416 0.346749 0.320290 O\n0.345005 0.083500 0.164356 O\n0.199609 0.996859 0.746897 O\n0.190355 0.993905 0.924435 O\n0.471102 0.089316 0.682912 O\n0.676136 0.191877 0.824346 O\n0.617687 0.068781 0.167599 O\n0.914832 0.259231 0.166739 O\n0.027723 0.247197 0.936212 O\n0.982053 0.199476 0.761869 O\n0.738554 0.078635 0.663677 O\n0.750107 0.984053 0.434750 O\n0.803032 0.011722 0.260072 O\n","nsites":86,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.4789128615873306,"density_atomic":0.07249886291781915,"volume":1186.2255011845498,"volume_molar":8.306531327017332,"formula_full":"Li6 V6 P16 O58","formula_reduced":"Li3V3P8O29","formula_anonymous":"A3B3C8D29","energy":-656.91566763,"energy_per_atom":-7.638554274767443,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-606.86966763,"band_gap":1.0258,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002805,"is_theoretical":true,"updated_at":"2021-11-28T01:36:49.780000Z","spacegroup":1},{"id":"mp-768088","created_at":"2022-09-04T14:44:54.376463Z","structure_string":"Mn4 Si8 O22\n1.0\n7.154552 0.000000 0.000000\n-2.557770 7.149983 0.000000\n-1.941255 -1.788666 8.034961\nMn Si O\n4 8 22\ndirect\n0.135943 0.369658 0.611226 Mn\n0.639783 0.374951 0.610671 Mn\n0.360217 0.625049 0.389329 Mn\n0.864057 0.630342 0.388774 Mn\n0.765964 0.618851 0.975491 Si\n0.048369 0.790521 0.779623 Si\n0.480111 0.786060 0.785081 Si\n0.222951 0.019043 0.394845 Si\n0.777049 0.980957 0.605155 Si\n0.519889 0.213940 0.214919 Si\n0.951631 0.209479 0.220377 Si\n0.234036 0.381149 0.024509 Si\n0.195855 0.421767 0.840110 O\n0.610805 0.738595 0.945123 O\n0.676055 0.418880 0.836562 O\n0.982847 0.759177 0.947107 O\n0.293681 0.841168 0.821846 O\n0.620465 0.966007 0.721335 O\n0.393255 0.597530 0.625041 O\n0.341322 0.204109 0.554501 O\n0.844692 0.197217 0.567668 O\n0.993351 0.962820 0.706461 O\n0.913370 0.594059 0.625729 O\n0.086630 0.405941 0.374271 O\n0.006649 0.037180 0.293539 O\n0.155308 0.802783 0.432332 O\n0.658678 0.795891 0.445499 O\n0.606745 0.402470 0.374959 O\n0.379535 0.033993 0.278665 O\n0.706319 0.158832 0.178154 O\n0.017153 0.240823 0.052893 O\n0.323945 0.581120 0.163438 O\n0.389195 0.261405 0.054877 O\n0.804145 0.578233 0.159890 O\n","nsites":34,"nelements":3,"elements":["Mn","Si","O"],"chemical_system":"Mn-O-Si","density":3.2175229495939024,"density_atomic":0.0827194599107564,"volume":411.02782871988774,"volume_molar":7.280198355377455,"formula_full":"Mn4 Si8 O22","formula_reduced":"Mn2Si4O11","formula_anonymous":"A2B4C11","energy":-284.44647731,"energy_per_atom":-8.366072862058823,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-262.66047731,"band_gap":1.0968999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:43.170000Z","spacegroup":2},{"id":"mp-562065","created_at":"2022-09-04T14:44:53.470322Z","structure_string":"P8 O16\n1.0\n5.252705 4.973322 0.000000\n-5.252705 4.973322 0.000000\n0.000000 0.919362 7.240006\nP O\n8 16\ndirect\n0.743875 0.978197 0.823611 P\n0.978197 0.743875 0.323611 P\n0.646696 0.275163 0.559539 P\n0.256125 0.021803 0.176389 P\n0.353304 0.724837 0.440461 P\n0.724837 0.353304 0.940461 P\n0.275163 0.646696 0.059539 P\n0.021803 0.256125 0.676389 P\n0.618816 0.381184 0.750000 O\n0.631543 0.051555 0.655314 O\n0.699877 0.117337 0.978533 O\n0.959286 0.040714 0.750000 O\n0.368457 0.948445 0.344686 O\n0.117337 0.699877 0.478533 O\n0.040714 0.959286 0.250000 O\n0.381184 0.618816 0.250000 O\n0.286255 0.219113 0.114233 O\n0.051555 0.631543 0.155314 O\n0.948445 0.368457 0.844686 O\n0.713745 0.780887 0.885767 O\n0.219113 0.286255 0.614233 O\n0.882663 0.300123 0.521467 O\n0.300123 0.882663 0.021467 O\n0.780887 0.713745 0.385767 O\n","nsites":24,"nelements":2,"elements":["P","O"],"chemical_system":"O-P","density":2.211525420575996,"density_atomic":0.06344723936257814,"volume":378.2670489861448,"volume_molar":9.491572557768247,"formula_full":"P8 O16","formula_reduced":"PO2","formula_anonymous":"AB2","energy":-176.82966489999998,"energy_per_atom":-7.367902704166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-165.8376649,"band_gap":4.5183,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018179,"is_theoretical":false,"updated_at":"2021-11-28T01:36:44.815000Z","spacegroup":15},{"id":"mp-1194656","created_at":"2022-09-04T14:44:53.488329Z","structure_string":"Mn4 Pb8 W4 O24\n1.0\n5.927449 0.000000 0.000000\n0.000000 8.169260 0.000000\n0.000000 0.000000 11.829411\nMn Pb W O\n4 8 4 24\ndirect\n0.237728 0.250000 0.117101 Mn\n0.262272 0.250000 0.617101 Mn\n0.737728 0.750000 0.382899 Mn\n0.762272 0.750000 0.882899 Mn\n0.701612 0.993878 0.147140 Pb\n0.701612 0.506122 0.147140 Pb\n0.798388 0.506122 0.647140 Pb\n0.798388 0.993878 0.647140 Pb\n0.298388 0.006122 0.852860 Pb\n0.298388 0.493878 0.852860 Pb\n0.201612 0.493878 0.352860 Pb\n0.201612 0.006122 0.352860 Pb\n0.248029 0.750000 0.118977 W\n0.251971 0.750000 0.618977 W\n0.751971 0.250000 0.881023 W\n0.748029 0.250000 0.381023 W\n0.477956 0.750000 0.003845 O\n0.022044 0.750000 0.503845 O\n0.053602 0.750000 0.253614 O\n0.446398 0.750000 0.753614 O\n0.522044 0.250000 0.996155 O\n0.977956 0.250000 0.496155 O\n0.989549 0.250000 0.981665 O\n0.510451 0.250000 0.481664 O\n0.010451 0.750000 0.018335 O\n0.489549 0.750000 0.518335 O\n0.946398 0.250000 0.746386 O\n0.553602 0.250000 0.246386 O\n0.716771 0.012295 0.861057 O\n0.716771 0.487705 0.861057 O\n0.783229 0.487705 0.361057 O\n0.783229 0.012295 0.361057 O\n0.037731 0.250000 0.269945 O\n0.462269 0.250000 0.769945 O\n0.283229 0.987705 0.138943 O\n0.283229 0.512295 0.138943 O\n0.216771 0.512295 0.638943 O\n0.216771 0.987705 0.638943 O\n0.537731 0.750000 0.230055 O\n0.962269 0.750000 0.730055 O\n","nsites":40,"nelements":4,"elements":["Mn","Pb","W","O"],"chemical_system":"Mn-O-Pb-W","density":8.687171154289235,"density_atomic":0.06983068878626864,"volume":572.8140548982458,"volume_molar":8.62391716975901,"formula_full":"Mn4 Pb8 W4 O24","formula_reduced":"MnPb2WO6","formula_anonymous":"ABC2D6","energy":-313.94754783,"energy_per_atom":-7.848688695750001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-273.03554783,"band_gap":1.6917,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9983539,"is_theoretical":false,"updated_at":"2021-11-28T01:36:39.404000Z","spacegroup":62}]}