{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=12178","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=12176","results":[{"id":"mp-778848","created_at":"2022-09-04T14:42:55.452515Z","structure_string":"In6 N2 O6\n1.0\n5.733195 -3.265118 0.000000\n5.733195 3.265118 0.000000\n3.873674 0.000000 5.340895\nIn N O\n6 2 6\ndirect\n0.500000 0.000000 0.500000 In\n0.864895 0.864895 0.864895 In\n0.500000 0.500000 0.500000 In\n0.135105 0.135105 0.135105 In\n0.500000 0.500000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.733732 0.733732 0.733732 N\n0.266268 0.266268 0.266268 N\n0.732819 0.260555 0.260555 O\n0.260555 0.260555 0.732819 O\n0.739445 0.267181 0.739445 O\n0.739445 0.739445 0.267181 O\n0.267181 0.739445 0.739445 O\n0.260555 0.732819 0.260555 O\n","nsites":14,"nelements":3,"elements":["In","N","O"],"chemical_system":"In-N-O","density":6.750813347772386,"density_atomic":0.07001456670569887,"volume":199.9583894998305,"volume_molar":8.601268340792037,"formula_full":"In6 N2 O6","formula_reduced":"In3NO3","formula_anonymous":"AB3C3","energy":-82.60049294999999,"energy_per_atom":-5.900035210714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.75649295,"band_gap":0.0305999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004317,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.919000Z","spacegroup":166},{"id":"mp-1213060","created_at":"2022-09-04T14:42:55.457769Z","structure_string":"Dy4 Al4 Ge8 O28\n1.0\n6.538476 0.000000 0.000000\n0.000000 7.224430 0.000000\n0.000000 5.913619 11.229141\nDy Al Ge O\n4 4 8 28\ndirect\n0.355074 0.743285 0.528812 Dy\n0.644926 0.256715 0.471188 Dy\n0.855074 0.256715 0.971188 Dy\n0.144926 0.743285 0.028812 Dy\n0.398899 0.709948 0.272008 Al\n0.601101 0.290052 0.727992 Al\n0.898899 0.290052 0.227992 Al\n0.101101 0.709948 0.772008 Al\n0.656472 0.713718 0.046600 Ge\n0.343528 0.286282 0.953400 Ge\n0.156472 0.286282 0.453400 Ge\n0.843528 0.713718 0.546600 Ge\n0.910057 0.803492 0.277343 Ge\n0.089943 0.196508 0.722657 Ge\n0.410057 0.196508 0.222657 Ge\n0.589943 0.803492 0.777343 Ge\n0.377996 0.922727 0.308888 O\n0.622004 0.077273 0.691112 O\n0.877996 0.077273 0.191112 O\n0.122004 0.922727 0.808888 O\n0.828693 0.911296 0.022221 O\n0.171307 0.088704 0.977779 O\n0.328693 0.088704 0.477779 O\n0.671307 0.911296 0.522221 O\n0.616712 0.279353 0.279468 O\n0.383288 0.720647 0.720532 O\n0.116712 0.720647 0.220532 O\n0.883288 0.279353 0.779468 O\n0.004445 0.751036 0.424300 O\n0.995555 0.248964 0.575700 O\n0.504445 0.248964 0.075700 O\n0.495555 0.751036 0.924300 O\n0.443534 0.708271 0.132372 O\n0.556466 0.291729 0.867628 O\n0.943534 0.291729 0.367628 O\n0.056466 0.708271 0.632372 O\n0.845893 0.512600 0.081616 O\n0.154107 0.487400 0.918384 O\n0.345893 0.487400 0.418384 O\n0.654107 0.512600 0.581616 O\n0.682843 0.655633 0.312669 O\n0.317157 0.344367 0.687331 O\n0.182843 0.344367 0.187331 O\n0.817157 0.655633 0.812669 O\n","nsites":44,"nelements":4,"elements":["Dy","Al","Ge","O"],"chemical_system":"Al-Dy-Ge-O","density":5.594407885836411,"density_atomic":0.08295183927372397,"volume":530.4282627755736,"volume_molar":7.259803776174483,"formula_full":"Dy4 Al4 Ge8 O28","formula_reduced":"DyAlGe2O7","formula_anonymous":"ABC2D7","energy":-335.45982159,"energy_per_atom":-7.624086854318182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-316.22382159,"band_gap":3.6402,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010472,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.526000Z","spacegroup":14},{"id":"mp-1097556","created_at":"2022-09-04T14:42:55.468222Z","structure_string":"Zr1 Be1 Rh2\n1.0\n-4.481746 5.519184 7.804459\n4.481746 -5.519184 7.804459\n4.481746 5.519184 -7.804459\nZr Be Rh\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Be\n0.000000 0.249391 0.249391 Rh\n0.000000 0.750609 0.750609 Rh\n","nsites":4,"nelements":3,"elements":["Zr","Be","Rh"],"chemical_system":"Be-Rh-Zr","density":0.6581313444931679,"density_atomic":0.0051800635059930855,"volume":772.1913052556579,"volume_molar":116.25611834744248,"formula_full":"Zr1 Be1 Rh2","formula_reduced":"ZrBeRh2","formula_anonymous":"ABC2","energy":-18.09464733,"energy_per_atom":-4.5236618325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.09464733,"band_gap":0.1290999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.03e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.204000Z","spacegroup":71},{"id":"mp-608314","created_at":"2022-09-04T14:42:55.476604Z","structure_string":"Rb8 Zn4 Cl16\n1.0\n7.400969 0.000000 0.000000\n0.000000 9.413748 0.000000\n0.000000 0.000000 12.981886\nRb Zn Cl\n8 4 16\ndirect\n0.750000 0.869166 0.091493 Rb\n0.750000 0.015002 0.679465 Rb\n0.750000 0.515002 0.820535 Rb\n0.750000 0.369166 0.408507 Rb\n0.250000 0.130834 0.908507 Rb\n0.250000 0.984998 0.320535 Rb\n0.250000 0.484998 0.179465 Rb\n0.250000 0.630834 0.591493 Rb\n0.750000 0.775249 0.422377 Zn\n0.250000 0.724751 0.922377 Zn\n0.250000 0.224751 0.577623 Zn\n0.750000 0.275249 0.077623 Zn\n0.250000 0.483219 0.917251 Cl\n0.999889 0.316186 0.657397 Cl\n0.250000 0.818760 0.086114 Cl\n0.250000 0.318760 0.413886 Cl\n0.750000 0.681240 0.586114 Cl\n0.499889 0.683814 0.342603 Cl\n0.250000 0.983219 0.582749 Cl\n0.000111 0.183814 0.157397 Cl\n0.750000 0.516781 0.082749 Cl\n0.999889 0.816186 0.842603 Cl\n0.000111 0.683814 0.342603 Cl\n0.500111 0.316186 0.657397 Cl\n0.750000 0.181240 0.913886 Cl\n0.499889 0.183814 0.157397 Cl\n0.750000 0.016781 0.417251 Cl\n0.500111 0.816186 0.842603 Cl\n","nsites":28,"nelements":3,"elements":["Rb","Zn","Cl"],"chemical_system":"Cl-Rb-Zn","density":2.7771019848638407,"density_atomic":0.030957728476650813,"volume":904.4591246776515,"volume_molar":19.452786287411456,"formula_full":"Rb8 Zn4 Cl16","formula_reduced":"Rb2ZnCl4","formula_anonymous":"AB2C4","energy":-98.74405884,"energy_per_atom":-3.52657353,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.92005884,"band_gap":4.444,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0028247,"is_theoretical":false,"updated_at":"2021-11-28T01:36:10.017000Z","spacegroup":62},{"id":"mp-636380","created_at":"2022-09-04T14:42:55.479536Z","structure_string":"Li2 Mo4 O8\n1.0\n4.465585 4.444755 0.000000\n-4.465585 4.444755 0.000000\n0.000000 4.402945 4.565821\nLi Mo O\n2 4 8\ndirect\n0.869490 0.130510 0.750000 Li\n0.130510 0.869490 0.250000 Li\n0.500000 0.500000 0.000000 Mo\n0.500000 0.000000 0.500000 Mo\n0.500000 0.500000 0.500000 Mo\n0.000000 0.500000 0.000000 Mo\n0.714301 0.729293 0.524205 O\n0.262523 0.726600 0.524117 O\n0.285699 0.270707 0.475795 O\n0.729293 0.714301 0.024205 O\n0.737477 0.273400 0.475883 O\n0.726600 0.262523 0.024117 O\n0.270707 0.285699 0.975795 O\n0.273400 0.737477 0.975883 O\n","nsites":14,"nelements":3,"elements":["Li","Mo","O"],"chemical_system":"Li-Mo-O","density":4.815707784905352,"density_atomic":0.07724190413016788,"volume":181.2487684975662,"volume_molar":7.796468546207125,"formula_full":"Li2 Mo4 O8","formula_reduced":"Li(MoO2)2","formula_anonymous":"AB2C4","energy":-114.60942894,"energy_per_atom":-8.186387781428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.30542894,"band_gap":1.4162,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9999658,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.022000Z","spacegroup":74},{"id":"mp-1177851","created_at":"2022-09-04T14:42:55.501944Z","structure_string":"Li4 Ti2 Cr6 O16\n1.0\n1.687146 -5.644566 -0.000006\n1.632885 -2.586370 -5.098440\n10.457106 0.050998 0.138742\nLi Ti Cr O\n4 2 6 16\ndirect\n0.250001 0.750000 0.250004 Li\n0.750009 0.250002 0.749998 Li\n0.750001 0.750007 0.250002 Li\n0.249996 0.250011 0.749995 Li\n0.999946 0.000005 0.000005 Ti\n0.499976 0.499981 0.500004 Ti\n0.000049 0.500010 0.499995 Cr\n0.000009 0.000076 0.499946 Cr\n0.500008 0.999926 0.500058 Cr\n0.500062 0.999942 0.000002 Cr\n0.499964 0.500021 0.000010 Cr\n0.999995 0.499965 0.999972 Cr\n0.624140 0.645640 0.106076 O\n0.124129 0.145641 0.606088 O\n0.875848 0.854386 0.393915 O\n0.375872 0.354354 0.893904 O\n0.122254 0.649307 0.106132 O\n0.622289 0.149318 0.606123 O\n0.377748 0.850692 0.393873 O\n0.877713 0.350686 0.893873 O\n0.141430 0.125854 0.101818 O\n0.641436 0.625847 0.601826 O\n0.630904 0.125843 0.101805 O\n0.130912 0.625868 0.601798 O\n0.869084 0.374190 0.398189 O\n0.369081 0.874166 0.898192 O\n0.358570 0.374133 0.398202 O\n0.858572 0.874136 0.898194 O\n","nsites":28,"nelements":4,"elements":["Li","Ti","Cr","O"],"chemical_system":"Cr-Li-O-Ti","density":3.8013538665834736,"density_atomic":0.09269942310736143,"volume":302.05150217139237,"volume_molar":6.496416653019895,"formula_full":"Li4 Ti2 Cr6 O16","formula_reduced":"Li2TiCr3O8","formula_anonymous":"AB2C3D8","energy":-230.68517172,"energy_per_atom":-8.238756132857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-207.69917172,"band_gap":0.7193999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0001779,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.742000Z","spacegroup":12},{"id":"mp-1041820","created_at":"2022-09-04T14:42:55.504258Z","structure_string":"Bi1 W2 O8\n1.0\n-5.373791 0.000000 0.000000\n-0.109063 -5.970186 0.000000\n2.239234 2.234504 5.216360\nBi W O\n1 2 8\ndirect\n0.000000 0.000000 0.000000 Bi\n0.745051 0.325807 0.510976 W\n0.254949 0.674193 0.489024 W\n0.763385 0.235203 0.766726 O\n0.774563 0.040768 0.276733 O\n0.640464 0.683128 0.675490 O\n0.888050 0.491896 0.308614 O\n0.225437 0.959232 0.723267 O\n0.236615 0.764797 0.233274 O\n0.359536 0.316872 0.324510 O\n0.111950 0.508104 0.691386 O\n","nsites":11,"nelements":3,"elements":["Bi","W","O"],"chemical_system":"Bi-O-W","density":6.991813184661134,"density_atomic":0.0657289199124004,"volume":167.35403555482347,"volume_molar":9.16208689877447,"formula_full":"Bi1 W2 O8","formula_reduced":"Bi(WO4)2","formula_anonymous":"AB2C8","energy":-90.13937555,"energy_per_atom":-8.194488686363636,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.76737555,"band_gap":0.1901999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9998778,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.670000Z","spacegroup":2},{"id":"mp-7237","created_at":"2022-09-04T14:42:55.506083Z","structure_string":"Cu1 Ag1 O2\n1.0\n1.415468 3.285719 0.000000\n-1.415468 3.285719 0.000000\n0.000000 2.373740 5.539367\nCu Ag O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Ag\n0.124551 0.124551 0.283772 O\n0.875449 0.875449 0.716228 O\n","nsites":4,"nelements":3,"elements":["Cu","Ag","O"],"chemical_system":"Ag-Cu-O","density":6.555520693605334,"density_atomic":0.07763175094143836,"volume":51.52530957362287,"volume_molar":7.757316673873313,"formula_full":"Cu1 Ag1 O2","formula_reduced":"CuAgO2","formula_anonymous":"ABC2","energy":-19.6597815,"energy_per_atom":-4.914945375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.2857815,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004791,"is_theoretical":false,"updated_at":"2021-11-28T01:36:02.729000Z","spacegroup":12},{"id":"mp-1026448","created_at":"2022-09-04T14:42:55.520939Z","structure_string":"Mg14 Cd1 C1\n1.0\n6.256834 0.000000 -0.000000\n-3.128417 5.418577 0.000000\n-0.000000 0.000000 9.979253\nMg Cd C\n14 1 1\ndirect\n0.169415 0.834707 0.125000 Mg\n0.160402 0.830201 0.625000 Mg\n0.665293 0.330585 0.125000 Mg\n0.669799 0.339598 0.625000 Mg\n0.665293 0.834707 0.125000 Mg\n0.669799 0.830201 0.625000 Mg\n0.326677 0.173323 0.389846 Mg\n0.326677 0.173323 0.860154 Mg\n0.326677 0.653355 0.389846 Mg\n0.326677 0.653355 0.860154 Mg\n0.846645 0.173323 0.389846 Mg\n0.846645 0.173323 0.860154 Mg\n0.833333 0.666667 0.372500 Mg\n0.833333 0.666667 0.877500 Mg\n0.166667 0.333333 0.125000 Cd\n0.166667 0.333333 0.625000 C\n","nsites":16,"nelements":3,"elements":["Mg","Cd","C"],"chemical_system":"C-Cd-Mg","density":2.2807416712056696,"density_atomic":0.04729138871538162,"volume":338.3279796728821,"volume_molar":12.73411697897822,"formula_full":"Mg14 Cd1 C1","formula_reduced":"Mg14CdC","formula_anonymous":"ABC14","energy":-28.38966987,"energy_per_atom":-1.774354366875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.38966987,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0192202,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.696000Z","spacegroup":187},{"id":"mp-1182475","created_at":"2022-09-04T14:42:55.461160Z","structure_string":"Ba4 Si8 O36\n1.0\n5.475233 -0.002220 0.006035\n-0.003416 8.284763 -0.001128\n0.018474 -0.001986 17.212491\nBa Si O\n4 8 36\ndirect\n0.634114 0.250542 0.999411 Ba\n0.135410 0.250172 0.500945 Ba\n0.366176 0.749418 0.000665 Ba\n0.864369 0.749823 0.499277 Ba\n0.712191 0.054858 0.293784 Si\n0.213268 0.444407 0.206388 Si\n0.287576 0.555545 0.706304 Si\n0.787045 0.945027 0.793606 Si\n0.287889 0.945005 0.706240 Si\n0.786748 0.555491 0.793658 Si\n0.712488 0.444328 0.293746 Si\n0.212986 0.054862 0.206415 Si\n0.947945 0.999081 0.241781 O\n0.448336 0.500366 0.258342 O\n0.051517 0.499933 0.758179 O\n0.552351 0.001170 0.741550 O\n0.052121 0.000683 0.758244 O\n0.551704 0.499444 0.741709 O\n0.948550 0.500008 0.241885 O\n0.447675 0.998724 0.258481 O\n0.716599 0.966990 0.381025 O\n0.217538 0.532346 0.119173 O\n0.283308 0.467264 0.619181 O\n0.782213 0.032628 0.880939 O\n0.283465 0.032820 0.619006 O\n0.782603 0.467653 0.880898 O\n0.716760 0.532800 0.380828 O\n0.217849 0.967334 0.119056 O\n0.713161 0.249602 0.304445 O\n0.215096 0.249615 0.195611 O\n0.287092 0.750263 0.695605 O\n0.784758 0.750276 0.804417 O\n0.632090 0.250773 0.501452 O\n0.130685 0.250045 0.996908 O\n0.367781 0.749663 0.497816 O\n0.869540 0.750745 0.003245 O\n0.461594 0.012408 0.088965 O\n0.957064 0.484641 0.412054 O\n0.538446 0.511804 0.911064 O\n0.042572 0.984715 0.588068 O\n0.538469 0.987763 0.911085 O\n0.042813 0.515403 0.588034 O\n0.461588 0.488034 0.088997 O\n0.957331 0.015219 0.411995 O\n0.673059 0.249977 0.574534 O\n0.174670 0.250407 0.923918 O\n0.325536 0.750228 0.424820 O\n0.825862 0.749698 0.076252 O\n","nsites":48,"nelements":3,"elements":["Ba","Si","O"],"chemical_system":"Ba-O-Si","density":2.871094689685966,"density_atomic":0.06147738834884976,"volume":780.7748716914725,"volume_molar":9.795700373327056,"formula_full":"Ba4 Si8 O36","formula_reduced":"BaSi2O9","formula_anonymous":"AB2C9","energy":-315.7617758,"energy_per_atom":-6.578370329166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-309.9657758,"band_gap":0.0554,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0038092,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.520000Z","spacegroup":62},{"id":"mp-1193145","created_at":"2022-09-04T14:42:55.468161Z","structure_string":"Fe1 H12 C4 S4 O6\n1.0\n6.721427 0.240737 2.159826\n0.851620 6.960619 2.385299\n0.372888 0.148305 7.633813\nFe H C S O\n1 12 4 4 6\ndirect\n0.000000 0.000000 0.000000 Fe\n0.828440 0.683692 0.035521 H\n0.171560 0.316308 0.964479 H\n0.800333 0.691114 0.255337 H\n0.199667 0.308886 0.744663 H\n0.262483 0.372752 0.214222 H\n0.737517 0.627248 0.785778 H\n0.119711 0.536542 0.108848 H\n0.880289 0.463458 0.891152 H\n0.451715 0.288590 0.451082 H\n0.548285 0.711410 0.548918 H\n0.345082 0.504526 0.423589 H\n0.654918 0.495474 0.576411 H\n0.102731 0.943357 0.390784 C\n0.897269 0.056643 0.609216 C\n0.896838 0.050090 0.421027 C\n0.103162 0.949910 0.578973 C\n0.258744 0.858263 0.208300 S\n0.741256 0.141736 0.791700 S\n0.740707 0.124132 0.283745 S\n0.259293 0.875868 0.716255 S\n0.888614 0.723136 0.116811 O\n0.111386 0.276864 0.883189 O\n0.227809 0.425795 0.091611 O\n0.772191 0.574205 0.908389 O\n0.319691 0.369685 0.490524 O\n0.680309 0.630315 0.509476 O\n","nsites":27,"nelements":5,"elements":["Fe","H","C","S","O"],"chemical_system":"C-Fe-H-O-S","density":1.6230961111021889,"density_atomic":0.07756650045108926,"volume":348.08841243295825,"volume_molar":7.763842283689662,"formula_full":"Fe1 H12 C4 S4 O6","formula_reduced":"FeH12C4(S2O3)2","formula_anonymous":"AB4C4D6E12","energy":-154.19871753,"energy_per_atom":-5.7110636122222225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-145.80871753,"band_gap":1.8802,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.0002483,"is_theoretical":false,"updated_at":"2021-11-28T01:35:56.549000Z","spacegroup":2},{"id":"mp-531960","created_at":"2022-09-04T14:42:55.493076Z","structure_string":"Zn10 Fe20 O40\n1.0\n5.236942 0.000000 3.023550\n1.745648 4.937437 3.023550\n0.022912 0.016201 30.195819\nZn Fe O\n10 20 40\ndirect\n0.001389 0.001389 0.999167 Zn\n0.999596 0.999596 0.200243 Zn\n0.626171 0.626171 0.024297 Zn\n0.249332 0.249332 0.250401 Zn\n0.001544 0.001544 0.399074 Zn\n0.249746 0.249746 0.450153 Zn\n0.001712 0.001712 0.598973 Zn\n0.000532 0.000532 0.799681 Zn\n0.250894 0.250894 0.649464 Zn\n0.248584 0.248584 0.850850 Zn\n0.246885 0.246885 0.051869 Fe\n0.122942 0.625068 0.125384 Fe\n0.625068 0.122942 0.125384 Fe\n0.625068 0.625068 0.125384 Fe\n0.124669 0.625051 0.325046 Fe\n0.625051 0.124669 0.325046 Fe\n0.624298 0.624298 0.225421 Fe\n0.625051 0.625051 0.325046 Fe\n0.124797 0.625847 0.524702 Fe\n0.625847 0.124797 0.524702 Fe\n0.624654 0.624654 0.425208 Fe\n0.625847 0.625847 0.524702 Fe\n0.124787 0.625285 0.724928 Fe\n0.625285 0.124787 0.724928 Fe\n0.625511 0.625511 0.624693 Fe\n0.625285 0.625285 0.724928 Fe\n0.120007 0.625928 0.925628 Fe\n0.625928 0.120007 0.925628 Fe\n0.623932 0.623932 0.825641 Fe\n0.625928 0.625928 0.925628 Fe\n0.373402 0.373402 0.079594 O\n0.386254 0.386254 0.168247 O\n0.373402 0.855224 0.079594 O\n0.855224 0.373402 0.079594 O\n0.384953 0.384953 0.277224 O\n0.406468 0.864345 0.172968 O\n0.864345 0.406468 0.172968 O\n0.385719 0.385719 0.368569 O\n0.384953 0.843971 0.277224 O\n0.863699 0.863699 0.081781 O\n0.843971 0.384953 0.277224 O\n0.864345 0.864345 0.172968 O\n0.385473 0.385473 0.476996 O\n0.407533 0.865643 0.372236 O\n0.865643 0.407533 0.372236 O\n0.386370 0.386370 0.568178 O\n0.385473 0.844073 0.476996 O\n0.865003 0.865003 0.280998 O\n0.844073 0.385473 0.476996 O\n0.865643 0.865643 0.372236 O\n0.386775 0.386775 0.676419 O\n0.407899 0.866337 0.571885 O\n0.866337 0.407899 0.571885 O\n0.385309 0.385309 0.768815 O\n0.866371 0.866371 0.480177 O\n0.386775 0.844354 0.676419 O\n0.844354 0.386775 0.676419 O\n0.866337 0.866337 0.571885 O\n0.406832 0.864949 0.772654 O\n0.385902 0.385902 0.877443 O\n0.864949 0.406832 0.772654 O\n0.378220 0.378220 0.973068 O\n0.865915 0.865915 0.680451 O\n0.385902 0.840980 0.877443 O\n0.840980 0.385902 0.877443 O\n0.864949 0.864949 0.772654 O\n0.402748 0.870042 0.971434 O\n0.870042 0.402748 0.971434 O\n0.865076 0.865076 0.880954 O\n0.870042 0.870042 0.971434 O\n","nsites":70,"nelements":3,"elements":["Zn","Fe","O"],"chemical_system":"Fe-O-Zn","density":5.130970480343965,"density_atomic":0.08971341169929416,"volume":780.262378546359,"volume_molar":6.712642676197968,"formula_full":"Zn10 Fe20 O40","formula_reduced":"Zn(FeO2)2","formula_anonymous":"AB2C4","energy":-500.96688505,"energy_per_atom":-7.156669786428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-428.36688505,"band_gap":1.5223,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":100.0001078,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.246000Z","spacegroup":160}]}