{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10147","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10145","results":[{"id":"mp-1147543","created_at":"2022-09-04T14:47:30.585277Z","structure_string":"Na1 Ni1 O2\n1.0\n3.737242 0.000000 0.000000\n0.000000 3.737242 0.000000\n0.000000 0.000000 3.355165\nNa Ni O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n","nsites":4,"nelements":3,"elements":["Na","Ni","O"],"chemical_system":"Na-Ni-O","density":4.028323696449666,"density_atomic":0.0853578891670897,"volume":46.861514958153705,"volume_molar":7.055165982621179,"formula_full":"Na1 Ni1 O2","formula_reduced":"NaNiO2","formula_anonymous":"ABC2","energy":-20.86431348,"energy_per_atom":-5.21607837,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.94931348,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.1222192,"is_theoretical":true,"updated_at":"2021-11-28T01:38:09.989000Z","spacegroup":123},{"id":"mp-1041841","created_at":"2022-09-04T14:47:30.589782Z","structure_string":"Si16 Bi8 O48\n1.0\n5.240266 0.000000 0.000000\n0.000000 10.771692 0.000000\n0.000000 0.000000 19.798020\nSi Bi O\n16 8 48\ndirect\n0.616271 0.172806 0.771787 Si\n0.742126 0.327033 0.478978 Si\n0.757874 0.327033 0.978978 Si\n0.883729 0.672806 0.228213 Si\n0.116271 0.827194 0.728213 Si\n0.383729 0.327194 0.271787 Si\n0.242126 0.172967 0.478978 Si\n0.742126 0.827033 0.021022 Si\n0.757874 0.827033 0.521022 Si\n0.883729 0.172806 0.271787 Si\n0.383729 0.827194 0.228213 Si\n0.616271 0.672806 0.728213 Si\n0.257874 0.672967 0.521022 Si\n0.116271 0.327194 0.771787 Si\n0.257874 0.172967 0.978978 Si\n0.242126 0.672967 0.021022 Si\n0.437912 0.537990 0.876803 Bi\n0.562088 0.462010 0.123197 Bi\n0.937912 0.462010 0.623197 Bi\n0.062088 0.537990 0.376803 Bi\n0.437912 0.037990 0.623197 Bi\n0.562088 0.962010 0.376803 Bi\n0.937912 0.962010 0.876803 Bi\n0.062088 0.037990 0.123197 Bi\n0.848224 0.037332 0.308301 O\n0.269437 0.533091 0.052885 O\n0.151776 0.962668 0.691699 O\n0.733759 0.834504 0.938232 O\n0.233759 0.665496 0.938232 O\n0.975681 0.737817 0.047262 O\n0.871982 0.160949 0.189264 O\n0.128018 0.339051 0.689264 O\n0.733759 0.334504 0.561768 O\n0.871982 0.660949 0.310736 O\n0.348224 0.962668 0.191699 O\n0.766241 0.834504 0.438232 O\n0.730563 0.466909 0.947115 O\n0.371982 0.339051 0.189264 O\n0.651776 0.537332 0.691699 O\n0.269437 0.033091 0.447115 O\n0.348224 0.462668 0.308301 O\n0.160674 0.229868 0.295691 O\n0.339326 0.229868 0.795691 O\n0.524319 0.237817 0.952738 O\n0.766241 0.334504 0.061768 O\n0.628018 0.160949 0.689264 O\n0.769437 0.966909 0.052885 O\n0.160674 0.729868 0.204309 O\n0.266241 0.665496 0.438232 O\n0.628018 0.660949 0.810736 O\n0.730563 0.966909 0.552885 O\n0.233759 0.165496 0.561768 O\n0.230563 0.033091 0.947115 O\n0.660674 0.270132 0.295691 O\n0.151776 0.462668 0.808301 O\n0.839326 0.270132 0.795691 O\n0.839326 0.770132 0.704309 O\n0.769437 0.466909 0.447115 O\n0.266241 0.165496 0.061768 O\n0.230563 0.533091 0.552885 O\n0.339326 0.729868 0.704309 O\n0.024319 0.262183 0.952738 O\n0.475681 0.262183 0.452738 O\n0.660674 0.770132 0.204309 O\n0.475681 0.762183 0.047262 O\n0.524319 0.737817 0.547262 O\n0.024319 0.762183 0.547262 O\n0.371982 0.839051 0.310736 O\n0.651776 0.037332 0.808301 O\n0.975681 0.237817 0.452738 O\n0.128018 0.839051 0.810736 O\n0.848224 0.537332 0.191699 O\n","nsites":72,"nelements":3,"elements":["Si","Bi","O"],"chemical_system":"Bi-O-Si","density":4.29304103627672,"density_atomic":0.06442782615888597,"volume":1117.5295565993524,"volume_molar":9.347111518474565,"formula_full":"Si16 Bi8 O48","formula_reduced":"Si2BiO6","formula_anonymous":"AB2C6","energy":-535.39889827,"energy_per_atom":-7.436095809305556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-502.42289827,"band_gap":0.1725999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9994145,"is_theoretical":true,"updated_at":"2021-11-28T01:38:11.288000Z","spacegroup":61},{"id":"mp-753301","created_at":"2022-09-04T14:47:30.592905Z","structure_string":"Na4 Ni5 O10\n1.0\n-4.488431 -2.562072 -0.026104\n0.060203 3.356666 5.397901\n-1.453686 4.147873 -5.376252\nNa Ni O\n4 5 10\ndirect\n0.813049 0.621388 0.623623 Na\n0.186952 0.378612 0.376377 Na\n0.599715 0.191979 0.189026 Na\n0.400284 0.808021 0.810974 Na\n0.398642 0.301356 0.795937 Ni\n0.601356 0.698644 0.204063 Ni\n0.000000 0.500000 0.000000 Ni\n0.796050 0.097888 0.597691 Ni\n0.203951 0.902113 0.402310 Ni\n0.869989 0.008854 0.324980 O\n0.130007 0.991140 0.675015 O\n0.667567 0.613707 0.926384 O\n0.332437 0.386301 0.073624 O\n0.895223 0.591817 0.287260 O\n0.104772 0.408185 0.712739 O\n0.685117 0.181770 0.859501 O\n0.314888 0.818229 0.140501 O\n0.482287 0.224620 0.524621 O\n0.517713 0.775376 0.475372 O\n","nsites":19,"nelements":3,"elements":["Na","Ni","O"],"chemical_system":"Na-Ni-O","density":4.514109711554229,"density_atomic":0.09469902182516172,"volume":200.63565213037566,"volume_molar":6.359242834755348,"formula_full":"Na4 Ni5 O10","formula_reduced":"Na4(NiO2)5","formula_anonymous":"A4B5C10","energy":-107.63728046,"energy_per_atom":-5.665120024210526,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.06228046,"band_gap":0.3153999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9992092,"is_theoretical":true,"updated_at":"2021-11-28T01:38:14.349000Z","spacegroup":2},{"id":"mp-581831","created_at":"2022-09-04T14:47:30.605458Z","structure_string":"Gd10 Cu2 Bi6\n1.0\n9.442858 0.000000 0.000000\n-4.721429 8.177754 0.000000\n0.000000 0.000000 6.521010\nGd Cu Bi\n10 2 6\ndirect\n0.253553 0.253553 0.750000 Gd\n0.746447 0.746447 0.250000 Gd\n0.333333 0.666667 0.500000 Gd\n0.253553 0.000000 0.250000 Gd\n0.666667 0.333333 0.500000 Gd\n0.000000 0.746447 0.750000 Gd\n0.666667 0.333333 0.000000 Gd\n1.000000 0.253553 0.250000 Gd\n0.746447 0.000000 0.750000 Gd\n0.333333 0.666667 0.000000 Gd\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.386423 0.000000 0.750000 Bi\n0.613577 0.000000 0.250000 Bi\n0.613577 0.613577 0.750000 Bi\n0.000000 0.613577 0.250000 Bi\n1.000000 0.386423 0.750000 Bi\n0.386423 0.386423 0.250000 Bi\n","nsites":18,"nelements":3,"elements":["Gd","Cu","Bi"],"chemical_system":"Bi-Cu-Gd","density":9.73934927932659,"density_atomic":0.035745398072223176,"volume":503.56132455515535,"volume_molar":16.847317654239944,"formula_full":"Gd10 Cu2 Bi6","formula_reduced":"Gd5CuBi3","formula_anonymous":"AB3C5","energy":-184.55400436,"energy_per_atom":-10.253000242222221,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-184.55400436,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9217258,"is_theoretical":false,"updated_at":"2021-11-28T01:38:13.027000Z","spacegroup":193},{"id":"mp-978520","created_at":"2022-09-04T14:47:30.616778Z","structure_string":"Sm1 Dy1 Ru2\n1.0\n0.000000 3.436889 3.436889\n3.436889 0.000000 3.436889\n3.436889 3.436889 0.000000\nSm Dy Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Dy\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n","nsites":4,"nelements":3,"elements":["Sm","Dy","Ru"],"chemical_system":"Dy-Ru-Sm","density":10.532459856315944,"density_atomic":0.04926443170928414,"volume":81.19448172272692,"volume_molar":12.224114946737721,"formula_full":"Sm1 Dy1 Ru2","formula_reduced":"SmDyRu2","formula_anonymous":"ABC2","energy":-28.83432401,"energy_per_atom":-7.2085810025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.83432401,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002786,"is_theoretical":true,"updated_at":"2021-11-28T01:38:12.052000Z","spacegroup":225},{"id":"mp-1222586","created_at":"2022-09-04T14:47:30.617653Z","structure_string":"Na12 In8 Bi12\n1.0\n4.726455 0.000000 0.000000\n0.000000 8.228398 0.000000\n0.000000 0.100698 27.494653\nNa In Bi\n12 8 12\ndirect\n0.500000 0.476133 0.891315 Na\n0.500000 0.475372 0.561215 Na\n0.500000 0.477946 0.225840 Na\n0.500000 0.964534 0.937561 Na\n0.500000 0.969056 0.607641 Na\n0.500000 0.963695 0.272681 Na\n0.000000 0.522846 0.771698 Na\n0.000000 0.529192 0.442809 Na\n0.000000 0.529815 0.108464 Na\n0.000000 0.021436 0.726534 Na\n0.000000 0.021236 0.397032 Na\n0.000000 0.021875 0.062599 Na\n0.500000 0.361652 0.357819 In\n0.500000 0.366141 0.023344 In\n0.000000 0.131302 0.853798 In\n0.000000 0.135047 0.527048 In\n0.000000 0.123003 0.188397 In\n0.000000 0.659514 0.973464 In\n0.000000 0.645861 0.641170 In\n0.000000 0.658738 0.307695 In\n0.500000 0.718760 0.706674 Bi\n0.500000 0.734910 0.374758 Bi\n0.500000 0.735184 0.041421 Bi\n0.500000 0.230283 0.793467 Bi\n0.500000 0.225193 0.461734 Bi\n0.500000 0.235360 0.129370 Bi\n0.000000 0.261587 0.962866 Bi\n0.000000 0.273943 0.627693 Bi\n0.000000 0.263295 0.295072 Bi\n0.000000 0.767493 0.869011 Bi\n0.000000 0.770623 0.536649 Bi\n0.000000 0.763375 0.203428 Bi\n","nsites":32,"nelements":3,"elements":["Na","In","Bi"],"chemical_system":"Bi-In-Na","density":5.749211359490766,"density_atomic":0.02992615479354768,"volume":1069.298752905584,"volume_molar":20.123336264030893,"formula_full":"Na12 In8 Bi12","formula_reduced":"Na3In2Bi3","formula_anonymous":"A2B3C3","energy":-90.0310302,"energy_per_atom":-2.81346969375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.0310302,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0257701,"is_theoretical":true,"updated_at":"2021-11-28T01:38:14.649000Z","spacegroup":6},{"id":"mp-5014","created_at":"2022-09-04T14:47:30.776184Z","structure_string":"Cu4 Ag4 S4\n1.0\n4.019385 0.000000 0.000000\n0.000000 6.620329 0.000000\n0.000000 0.000000 8.290497\nCu Ag S\n4 4 4\ndirect\n0.750000 0.297224 0.238722 Cu\n0.750000 0.202776 0.738722 Cu\n0.250000 0.797224 0.261278 Cu\n0.250000 0.702776 0.761278 Cu\n0.250000 0.322699 0.985662 Ag\n0.250000 0.177301 0.485662 Ag\n0.750000 0.822699 0.514338 Ag\n0.750000 0.677301 0.014338 Ag\n0.250000 0.054847 0.770686 S\n0.250000 0.445153 0.270686 S\n0.750000 0.554847 0.729314 S\n0.750000 0.945153 0.229314 S\n","nsites":12,"nelements":3,"elements":["Cu","Ag","S"],"chemical_system":"Ag-Cu-S","density":6.12645663731032,"density_atomic":0.05439531545632516,"volume":220.60723243042844,"volume_molar":11.071065053083975,"formula_full":"Cu4 Ag4 S4","formula_reduced":"CuAgS","formula_anonymous":"ABC","energy":-47.54995338,"energy_per_atom":-3.962496115,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.53795338,"band_gap":0.5674000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006202,"is_theoretical":false,"updated_at":"2021-11-28T01:38:12.764000Z","spacegroup":62},{"id":"mp-1214640","created_at":"2022-09-04T14:47:30.593106Z","structure_string":"Ba6 Ce2 Ir4 O18\n1.0\n2.994336 -5.186343 0.000000\n2.994336 5.186343 0.000000\n0.000000 0.000000 14.760484\nBa Ce Ir O\n6 2 4 18\ndirect\n0.333333 0.666667 0.096500 Ba\n0.666667 0.333333 0.903500 Ba\n0.666667 0.333333 0.596500 Ba\n0.333333 0.666667 0.403500 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.333333 0.666667 0.664926 Ir\n0.666667 0.333333 0.335074 Ir\n0.666667 0.333333 0.164926 Ir\n0.333333 0.666667 0.835074 Ir\n0.508363 0.016726 0.250000 O\n0.491637 0.983274 0.750000 O\n0.983274 0.491637 0.250000 O\n0.016726 0.508363 0.750000 O\n0.508363 0.491637 0.250000 O\n0.491637 0.508363 0.750000 O\n0.175378 0.350756 0.586654 O\n0.824622 0.649244 0.413346 O\n0.649244 0.824622 0.586654 O\n0.824622 0.649244 0.086654 O\n0.350756 0.175378 0.413346 O\n0.175378 0.350756 0.913346 O\n0.175378 0.824622 0.586654 O\n0.350756 0.175378 0.086654 O\n0.824622 0.175378 0.413346 O\n0.649244 0.824622 0.913346 O\n0.824622 0.175378 0.086654 O\n0.175378 0.824622 0.913346 O\n","nsites":30,"nelements":4,"elements":["Ba","Ce","Ir","O"],"chemical_system":"Ba-Ce-Ir-O","density":7.827476862744966,"density_atomic":0.06543783064378576,"volume":458.4504055965205,"volume_molar":9.202842913271128,"formula_full":"Ba6 Ce2 Ir4 O18","formula_reduced":"Ba3CeIr2O9","formula_anonymous":"AB2C3D9","energy":-225.26978979,"energy_per_atom":-7.508992993000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-212.90378979,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.00042,"is_theoretical":true,"updated_at":"2021-11-28T01:38:13.566000Z","spacegroup":194},{"id":"mp-1105217","created_at":"2022-09-04T14:47:30.673166Z","structure_string":"Ba2 La4 Pd2 O10\n1.0\n0.000000 0.000000 5.997476\n6.923703 0.000000 0.000000\n0.000000 6.923703 0.000000\nBa La Pd O\n2 4 2 10\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.500000 0.176470 0.676470 La\n0.500000 0.823530 0.323530 La\n0.500000 0.323530 0.176470 La\n0.500000 0.676470 0.823530 La\n0.000000 0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.246542 0.358191 0.858191 O\n0.246542 0.641809 0.141809 O\n0.246542 0.141809 0.358191 O\n0.246542 0.858191 0.641809 O\n0.753458 0.641809 0.141809 O\n0.753458 0.358191 0.858191 O\n0.753458 0.858191 0.641809 O\n0.753458 0.141809 0.358191 O\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n","nsites":18,"nelements":4,"elements":["Ba","La","Pd","O"],"chemical_system":"Ba-La-O-Pd","density":6.948787197619837,"density_atomic":0.06260761014917855,"volume":287.5049847312559,"volume_molar":9.618863818073743,"formula_full":"Ba2 La4 Pd2 O10","formula_reduced":"BaLa2PdO5","formula_anonymous":"ABC2D5","energy":-137.92111737,"energy_per_atom":-7.662284298333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-131.05111737,"band_gap":2.3421000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012957,"is_theoretical":false,"updated_at":"2021-11-28T01:38:09.396000Z","spacegroup":127},{"id":"mp-757951","created_at":"2022-09-04T14:47:30.675850Z","structure_string":"Li4 P12 W8 O48\n1.0\n8.990055 0.000000 0.000000\n0.000000 8.677243 0.000000\n0.000000 8.480089 12.314482\nLi P W O\n4 12 8 48\ndirect\n0.781279 0.987672 0.323846 Li\n0.281279 0.012328 0.176154 Li\n0.718721 0.987672 0.823846 Li\n0.218721 0.012328 0.676154 Li\n0.251070 0.457855 0.007870 P\n0.382062 0.747711 0.648063 P\n0.110392 0.033454 0.356414 P\n0.610392 0.966546 0.143586 P\n0.882062 0.252289 0.851937 P\n0.751070 0.542145 0.492130 P\n0.248930 0.457855 0.507870 P\n0.117938 0.747711 0.148063 P\n0.389608 0.033454 0.856414 P\n0.889608 0.966546 0.643586 P\n0.617938 0.252289 0.351937 P\n0.748930 0.542145 0.992130 P\n0.531965 0.370347 0.881819 W\n0.962424 0.142139 0.113690 W\n0.031965 0.629653 0.618181 W\n0.462424 0.857861 0.386310 W\n0.537576 0.142139 0.613690 W\n0.968035 0.370347 0.381819 W\n0.037576 0.857861 0.886310 W\n0.468035 0.629653 0.118181 W\n0.868402 0.390044 0.059283 O\n0.885079 0.809286 0.625144 O\n0.584069 0.096275 0.332664 O\n0.684859 0.520158 0.903676 O\n0.368078 0.477109 0.929170 O\n0.213911 0.718270 0.667264 O\n0.425238 0.819913 0.531243 O\n0.988648 0.078583 0.269222 O\n0.178078 0.261035 0.068094 O\n0.261770 0.010830 0.315636 O\n0.063706 0.846847 0.459605 O\n0.476665 0.572977 0.725681 O\n0.976665 0.427023 0.774319 O\n0.563706 0.153153 0.040395 O\n0.761770 0.989170 0.184364 O\n0.678078 0.738965 0.431906 O\n0.925238 0.180087 0.968757 O\n0.488648 0.921417 0.230778 O\n0.713911 0.281730 0.832736 O\n0.868078 0.522891 0.570830 O\n0.184859 0.479842 0.596324 O\n0.385079 0.190714 0.874856 O\n0.084069 0.903725 0.167336 O\n0.368402 0.609956 0.440717 O\n0.631598 0.390044 0.559283 O\n0.915931 0.096275 0.832664 O\n0.614921 0.809286 0.125144 O\n0.815141 0.520158 0.403676 O\n0.131922 0.477109 0.429170 O\n0.286089 0.718270 0.167264 O\n0.511352 0.078583 0.769222 O\n0.074762 0.819913 0.031243 O\n0.321922 0.261035 0.568094 O\n0.238230 0.010830 0.815636 O\n0.436294 0.846847 0.959605 O\n0.023335 0.572977 0.225681 O\n0.523335 0.427023 0.274319 O\n0.936294 0.153153 0.540395 O\n0.738230 0.989170 0.684364 O\n0.821922 0.738965 0.931906 O\n0.011352 0.921417 0.730778 O\n0.574762 0.180087 0.468757 O\n0.786089 0.281730 0.332736 O\n0.631922 0.522891 0.070830 O\n0.315141 0.479842 0.096324 O\n0.415931 0.903725 0.667336 O\n0.114921 0.190714 0.374856 O\n0.131598 0.609956 0.940717 O\n","nsites":72,"nelements":4,"elements":["Li","P","W","O"],"chemical_system":"Li-O-P-W","density":4.560229883544469,"density_atomic":0.07495010398745715,"volume":960.6390941372031,"volume_molar":8.034866450629345,"formula_full":"Li4 P12 W8 O48","formula_reduced":"LiP3(WO6)2","formula_anonymous":"AB2C3D12","energy":-595.92623985,"energy_per_atom":-8.27675333125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-527.44623985,"band_gap":2.6345,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":16.0002071,"is_theoretical":true,"updated_at":"2021-11-28T01:38:13.397000Z","spacegroup":14},{"id":"mp-975079","created_at":"2022-09-04T14:47:30.822169Z","structure_string":"Mn2 Zn6\n1.0\n2.736318 -4.739441 0.000000\n2.736318 4.739441 0.000000\n0.000000 0.000000 4.350607\nMn Zn\n2 6\ndirect\n0.666667 0.333333 0.250000 Mn\n0.333333 0.666667 0.750000 Mn\n0.831608 0.168392 0.750000 Zn\n0.336784 0.168392 0.750000 Zn\n0.831608 0.663216 0.750000 Zn\n0.168392 0.831608 0.250000 Zn\n0.663216 0.831608 0.250000 Zn\n0.168392 0.336784 0.250000 Zn\n","nsites":8,"nelements":2,"elements":["Mn","Zn"],"chemical_system":"Mn-Zn","density":7.392047561277284,"density_atomic":0.07089513739304017,"volume":112.84271805058053,"volume_molar":8.49443414801986,"formula_full":"Mn2 Zn6","formula_reduced":"MnZn3","formula_anonymous":"AB3","energy":-26.02329085,"energy_per_atom":-3.25291135625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.02329085,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0856368,"is_theoretical":true,"updated_at":"2021-11-28T01:38:16.161000Z","spacegroup":194},{"id":"mp-778673","created_at":"2022-09-04T14:47:31.088796Z","structure_string":"Na8 Fe4 P2 C8 O32\n1.0\n0.000000 6.932467 7.206205\n6.886344 0.000000 7.206205\n6.886344 6.932467 0.000000\nNa Fe P C O\n8 4 2 8 32\ndirect\n0.960200 0.539800 0.960200 Na\n0.540014 0.959986 0.959986 Na\n0.290014 0.709986 0.709986 Na\n0.710200 0.289800 0.710200 Na\n0.539800 0.960200 0.539800 Na\n0.959986 0.540014 0.540014 Na\n0.709986 0.290014 0.290014 Na\n0.289800 0.710200 0.289800 Na\n0.125000 0.125000 0.125000 Fe\n0.125000 0.125000 0.625000 Fe\n0.125000 0.625000 0.125000 Fe\n0.625000 0.125000 0.125000 Fe\n0.500000 0.500000 0.500000 P\n0.750000 0.750000 0.750000 P\n0.916642 0.913321 0.903271 C\n0.336679 0.333358 0.983234 C\n0.903271 0.266766 0.916642 C\n0.266766 0.903271 0.913321 C\n0.983234 0.346729 0.336679 C\n0.346729 0.983234 0.333358 C\n0.913321 0.916642 0.266766 C\n0.333358 0.336679 0.346729 C\n0.945132 0.768671 0.014693 O\n0.308156 0.570133 0.559774 O\n0.031953 0.941716 0.765158 O\n0.308284 0.218047 0.988828 O\n0.765158 0.261172 0.031953 O\n0.221686 0.480564 0.977979 O\n0.559774 0.561937 0.308156 O\n0.570133 0.308156 0.561937 O\n0.319771 0.977979 0.480564 O\n0.261172 0.765158 0.941716 O\n0.481329 0.304868 0.978497 O\n0.561937 0.559774 0.570133 O\n0.014693 0.271503 0.945132 O\n0.271503 0.014693 0.768671 O\n0.769436 0.028314 0.930229 O\n0.977979 0.319771 0.221686 O\n0.272021 0.930229 0.028314 O\n0.480564 0.221686 0.319771 O\n0.978497 0.235307 0.481329 O\n0.235307 0.978497 0.304868 O\n0.688063 0.690226 0.679867 O\n0.768671 0.945132 0.271503 O\n0.988828 0.484842 0.308284 O\n0.930229 0.272021 0.769436 O\n0.679867 0.941844 0.688063 O\n0.690226 0.688063 0.941844 O\n0.028314 0.769436 0.272021 O\n0.484842 0.988828 0.218047 O\n0.941716 0.031953 0.261172 O\n0.218047 0.308284 0.484842 O\n0.941844 0.679867 0.690226 O\n0.304868 0.481329 0.235307 O\n","nsites":54,"nelements":5,"elements":["Na","Fe","P","C","O"],"chemical_system":"C-Fe-Na-O-P","density":2.600024818561619,"density_atomic":0.07848390925539162,"volume":688.0391218062365,"volume_molar":7.673089703525817,"formula_full":"Na8 Fe4 P2 C8 O32","formula_reduced":"Na4Fe2P(CO4)4","formula_anonymous":"AB2C4D4E16","energy":-393.31435477,"energy_per_atom":-7.283599162407408,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-362.30635477,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":22.0020613,"is_theoretical":true,"updated_at":"2021-11-28T01:38:08.753000Z","spacegroup":70}]}