{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=10136","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=10134","results":[{"id":"mp-1189765","created_at":"2022-09-04T14:41:31.396277Z","structure_string":"Zr10 In6 Cu2\n1.0\n4.419631 -7.655025 0.000000\n4.419631 7.655025 0.000000\n0.000000 0.000000 5.975422\nZr In Cu\n10 6 2\ndirect\n0.730145 0.730145 0.250000 Zr\n0.269855 0.000000 0.250000 Zr\n0.000000 0.269855 0.250000 Zr\n0.269855 0.269855 0.750000 Zr\n0.730145 0.000000 0.750000 Zr\n0.000000 0.730145 0.750000 Zr\n0.666667 0.333333 0.500000 Zr\n0.333333 0.666667 0.500000 Zr\n0.333333 0.666667 0.000000 Zr\n0.666667 0.333333 0.000000 Zr\n0.378128 0.378128 0.250000 In\n0.621872 0.000000 0.250000 In\n0.000000 0.621872 0.250000 In\n0.621872 0.621872 0.750000 In\n0.378128 0.000000 0.750000 In\n0.000000 0.378128 0.750000 In\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n","nsites":18,"nelements":3,"elements":["Zr","In","Cu"],"chemical_system":"Cu-In-Zr","density":7.097770426485773,"density_atomic":0.04451857999434163,"volume":404.32556479312285,"volume_molar":13.527252578059366,"formula_full":"Zr10 In6 Cu2","formula_reduced":"Zr5In3Cu","formula_anonymous":"AB3C5","energy":-114.37594663000002,"energy_per_atom":-6.354219257222223,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-114.37594663000002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002301,"is_theoretical":false,"updated_at":"2021-11-28T01:35:24.927000Z","spacegroup":193},{"id":"mp-1245707","created_at":"2022-09-04T14:41:31.455317Z","structure_string":"Sb2 Te2 N2\n1.0\n3.957449 0.000000 0.000000\n0.000000 3.957449 0.000000\n0.000000 0.000000 9.768461\nSb Te N\n2 2 2\ndirect\n0.500000 0.000000 0.104601 Sb\n0.000000 0.500000 0.895399 Sb\n0.500000 0.000000 0.551224 Te\n0.000000 0.500000 0.448776 Te\n0.500000 0.500000 0.000000 N\n0.000000 0.000000 0.000000 N\n","nsites":6,"nelements":3,"elements":["Sb","Te","N"],"chemical_system":"N-Sb-Te","density":5.7171969673233916,"density_atomic":0.03921881342830901,"volume":152.98780038227946,"volume_molar":15.355234474414479,"formula_full":"Sb2 Te2 N2","formula_reduced":"SbTeN","formula_anonymous":"ABC","energy":-30.88718213,"energy_per_atom":-5.1478636883333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.32118213,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023387,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.678000Z","spacegroup":129},{"id":"mp-1233357","created_at":"2022-09-04T14:41:31.493643Z","structure_string":"Ca1 Al2 H4 Pb2 O4 F6\n1.0\n7.698628 -0.182523 -1.319050\n-2.617505 7.110014 -0.287682\n0.393752 -0.060919 4.729526\nCa Al H Pb O F\n1 2 4 2 4 6\ndirect\n0.500000 0.000000 0.500000 Ca\n0.152376 0.668869 0.128047 Al\n0.847624 0.331131 0.871953 Al\n0.150283 0.494993 0.639860 H\n0.849717 0.505007 0.360140 H\n0.094662 0.834392 0.739860 H\n0.905338 0.165608 0.260140 H\n0.753658 0.784172 0.943317 Pb\n0.246342 0.215828 0.056683 Pb\n0.093609 0.480721 0.818925 O\n0.906391 0.519279 0.181076 O\n0.071024 0.844653 0.940870 O\n0.928976 0.155347 0.059130 O\n0.195973 0.832365 0.456915 F\n0.804027 0.167635 0.543086 F\n0.254734 0.530451 0.341840 F\n0.745266 0.469549 0.658160 F\n0.392172 0.816293 0.061649 F\n0.607828 0.183707 0.938351 F\n","nsites":19,"nelements":6,"elements":["Ca","Al","H","Pb","O","F"],"chemical_system":"Al-Ca-F-H-O-Pb","density":4.4099215106613086,"density_atomic":0.07307962341016278,"volume":259.99039285358134,"volume_molar":8.240519694799815,"formula_full":"Ca1 Al2 H4 Pb2 O4 F6","formula_reduced":"CaAl2H4Pb2(O2F3)2","formula_anonymous":"AB2C2D4E4F6","energy":-108.6273557,"energy_per_atom":-5.7172292473684205,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.1073557,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.92e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:20.358000Z","spacegroup":2},{"id":"mp-867897","created_at":"2022-09-04T14:41:31.500386Z","structure_string":"Sc1 Ta1 Ru2\n1.0\n0.000000 3.184862 3.184862\n3.184862 0.000000 3.184862\n3.184862 3.184862 0.000000\nSc Ta Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n","nsites":4,"nelements":3,"elements":["Sc","Ta","Ru"],"chemical_system":"Ru-Sc-Ta","density":11.001083150277077,"density_atomic":0.061909620001055786,"volume":64.61031419562558,"volume_molar":9.727310165847085,"formula_full":"Sc1 Ta1 Ru2","formula_reduced":"ScTaRu2","formula_anonymous":"ABC2","energy":-39.23824632,"energy_per_atom":-9.80956158,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.23824632,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009443,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.609000Z","spacegroup":225},{"id":"mp-1245473","created_at":"2022-09-04T14:41:31.750648Z","structure_string":"Mn36 Ir8 N36\n1.0\n6.553749 0.000000 -0.029144\n0.000000 7.646893 0.000000\n-4.636784 0.000000 16.361520\nMn Ir N\n36 8 36\ndirect\n0.482176 0.864201 0.076871 Mn\n0.517824 0.364201 0.423129 Mn\n0.517824 0.135799 0.923129 Mn\n0.482176 0.635799 0.576871 Mn\n0.615450 0.127202 0.579992 Mn\n0.384550 0.627202 0.920008 Mn\n0.384550 0.872798 0.420008 Mn\n0.615450 0.372798 0.079992 Mn\n0.766259 0.872124 0.723336 Mn\n0.233741 0.372124 0.776664 Mn\n0.233741 0.127876 0.276664 Mn\n0.766259 0.627876 0.223336 Mn\n0.834553 0.308498 0.711533 Mn\n0.165447 0.808498 0.788467 Mn\n0.165447 0.691502 0.288467 Mn\n0.834553 0.191502 0.211533 Mn\n0.692425 0.414236 0.891608 Mn\n0.307575 0.914236 0.608392 Mn\n0.307575 0.585764 0.108392 Mn\n0.692425 0.085764 0.391608 Mn\n0.832461 0.121815 0.852079 Mn\n0.167539 0.621815 0.647921 Mn\n0.167539 0.878185 0.147921 Mn\n0.832461 0.378185 0.352079 Mn\n0.063793 0.134822 0.636616 Mn\n0.936207 0.634822 0.863384 Mn\n0.936207 0.865178 0.363384 Mn\n0.063793 0.365178 0.136616 Mn\n0.307249 0.336723 0.580446 Mn\n0.692751 0.836723 0.919554 Mn\n0.692751 0.663277 0.419554 Mn\n0.307249 0.163277 0.080446 Mn\n0.827418 0.443701 0.569775 Mn\n0.172582 0.943701 0.930225 Mn\n0.172582 0.556299 0.430225 Mn\n0.827418 0.056299 0.069775 Mn\n0.470873 0.147935 0.717442 Ir\n0.529127 0.647935 0.782558 Ir\n0.529127 0.852065 0.282558 Ir\n0.470873 0.352065 0.217443 Ir\n0.842926 0.825203 0.571557 Ir\n0.157074 0.325203 0.928443 Ir\n0.157074 0.174797 0.428443 Ir\n0.842926 0.674797 0.071557 Ir\n0.603331 0.396310 0.614317 N\n0.396669 0.896310 0.885683 N\n0.396669 0.603690 0.385683 N\n0.603331 0.103690 0.114317 N\n0.484838 0.244628 0.825009 N\n0.515162 0.744628 0.674991 N\n0.515162 0.755372 0.174991 N\n0.484838 0.255372 0.325009 N\n0.795664 0.062500 0.956736 N\n0.204336 0.562500 0.543264 N\n0.204336 0.937500 0.043264 N\n0.795664 0.437500 0.456736 N\n0.511846 0.864292 0.539529 N\n0.488154 0.364292 0.960471 N\n0.488154 0.135708 0.460471 N\n0.511846 0.635708 0.039529 N\n0.831944 0.078075 0.677025 N\n0.168056 0.578075 0.822975 N\n0.168056 0.921925 0.322975 N\n0.831944 0.421925 0.177025 N\n0.065157 0.383376 0.661449 N\n0.934843 0.883376 0.838551 N\n0.934843 0.616624 0.338551 N\n0.065157 0.116624 0.161449 N\n0.035994 0.240680 0.812940 N\n0.964006 0.740680 0.687060 N\n0.964006 0.759320 0.187060 N\n0.035994 0.259320 0.312940 N\n0.184174 0.119946 0.546852 N\n0.815826 0.619946 0.953148 N\n0.815826 0.880054 0.453148 N\n0.184174 0.380054 0.046852 N\n0.240812 0.973153 0.708209 N\n0.759188 0.473153 0.791791 N\n0.759188 0.026847 0.291791 N\n0.240812 0.526847 0.208209 N\n","nsites":80,"nelements":3,"elements":["Mn","Ir","N"],"chemical_system":"Ir-Mn-N","density":8.150739102826924,"density_atomic":0.09768754180836205,"volume":818.937589369784,"volume_molar":6.164696796049899,"formula_full":"Mn36 Ir8 N36","formula_reduced":"Mn9Ir2N9","formula_anonymous":"A2B9C9","energy":-710.2462204,"energy_per_atom":-8.878077755,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-697.2502204,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":36.2231529,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.869000Z","spacegroup":14},{"id":"mp-1103999","created_at":"2022-09-04T14:41:31.821141Z","structure_string":"Ba3 In1 Hg10\n1.0\n-2.681894 5.070012 7.778848\n2.681894 -5.070012 7.778848\n2.681894 5.070012 -7.778848\nBa In Hg\n3 1 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.701097 0.701097 0.000000 Ba\n0.298903 0.298903 0.000000 Ba\n0.500000 0.000000 0.500000 In\n0.142893 0.858706 0.284187 Hg\n0.857107 0.141294 0.715813 Hg\n0.425481 0.141294 0.284187 Hg\n0.574519 0.858706 0.715813 Hg\n0.017621 0.662210 0.355410 Hg\n0.982379 0.337790 0.644590 Hg\n0.693200 0.337790 0.355410 Hg\n0.306800 0.662210 0.644590 Hg\n0.678831 0.500000 0.178831 Hg\n0.321169 0.500000 0.821169 Hg\n","nsites":14,"nelements":3,"elements":["Ba","In","Hg"],"chemical_system":"Ba-Hg-In","density":9.940467362446002,"density_atomic":0.03309041112920736,"volume":423.0832897583087,"volume_molar":18.19905088663144,"formula_full":"Ba3 In1 Hg10","formula_reduced":"Ba3InHg10","formula_anonymous":"AB3C10","energy":-16.8281161,"energy_per_atom":-1.2020082928571427,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.8281161,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.4085588,"is_theoretical":false,"updated_at":"2021-11-28T01:35:21.393000Z","spacegroup":71},{"id":"mp-1191230","created_at":"2022-09-04T14:41:31.825830Z","structure_string":"Pr8 Fe2 S14\n1.0\n6.997597 0.000000 0.000000\n0.000000 9.929100 0.000000\n0.000000 4.963974 8.622841\nPr Fe S\n8 2 14\ndirect\n0.724562 0.780746 0.844576 Pr\n0.723768 0.375088 0.780776 Pr\n0.724519 0.844293 0.375645 Pr\n0.224562 0.219254 0.155424 Pr\n0.223768 0.624912 0.219224 Pr\n0.224519 0.155707 0.624355 Pr\n0.179307 0.663194 0.666563 Pr\n0.679307 0.336806 0.333437 Pr\n0.517325 0.001931 0.001455 Fe\n0.017325 0.998069 0.998545 Fe\n0.334502 0.871856 0.900052 S\n0.335536 0.233488 0.869324 S\n0.335283 0.898436 0.232621 S\n0.834502 0.128144 0.099948 S\n0.835536 0.766512 0.130676 S\n0.835283 0.101564 0.767379 S\n0.966988 0.925062 0.562514 S\n0.964734 0.510399 0.927109 S\n0.961880 0.559968 0.510457 S\n0.466988 0.074938 0.437486 S\n0.464734 0.489601 0.072891 S\n0.461880 0.440032 0.489543 S\n0.563597 0.667442 0.666914 S\n0.063597 0.332558 0.333086 S\n","nsites":24,"nelements":3,"elements":["Pr","Fe","S"],"chemical_system":"Fe-Pr-S","density":4.678176869342697,"density_atomic":0.04005917967722993,"volume":599.1136162391728,"volume_molar":15.0331105342705,"formula_full":"Pr8 Fe2 S14","formula_reduced":"Pr4FeS7","formula_anonymous":"AB4C7","energy":-159.22277538,"energy_per_atom":-6.6342823075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-152.18077538,"band_gap":0.3186000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9999455,"is_theoretical":true,"updated_at":"2021-11-28T01:35:12.217000Z","spacegroup":4},{"id":"mp-1186643","created_at":"2022-09-04T14:41:47.827411Z","structure_string":"Pm1 Sm1 Ga2\n1.0\n0.000000 3.664635 3.664635\n3.664635 0.000000 3.664635\n3.664635 3.664635 0.000000\nPm Sm Ga\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pm\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Ga\n0.750000 0.750000 0.750000 Ga\n","nsites":4,"nelements":3,"elements":["Pm","Sm","Ga"],"chemical_system":"Ga-Pm-Sm","density":7.335377263748775,"density_atomic":0.04063851411918381,"volume":98.42879560677049,"volume_molar":14.818801549531038,"formula_full":"Pm1 Sm1 Ga2","formula_reduced":"PmSmGa2","formula_anonymous":"ABC2","energy":-17.79315848,"energy_per_atom":-4.44828962,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.79315848,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011505,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.392000Z","spacegroup":225},{"id":"mp-757863","created_at":"2022-09-04T14:41:31.426352Z","structure_string":"Li8 V2 Cr2 W4 O24\n1.0\n5.419680 2.906804 -4.234655\n-5.428198 2.919850 -4.236904\n-4.826676 6.133036 4.214143\nLi V Cr W O\n8 2 2 4 24\ndirect\n0.318344 0.679414 0.213367 Li\n0.818405 0.179379 0.213435 Li\n0.171758 0.321396 0.786691 Li\n0.671773 0.821383 0.786712 Li\n0.692004 0.304575 0.796648 Li\n0.191969 0.804696 0.796609 Li\n0.831958 0.677456 0.216264 Li\n0.331910 0.177490 0.216226 Li\n0.231067 0.270520 0.487835 V\n0.730999 0.770577 0.487865 V\n0.509662 0.490224 0.006609 Cr\n0.009458 0.990284 0.006385 Cr\n0.746587 0.263635 0.503540 W\n0.246590 0.763542 0.503559 W\n0.495372 0.996289 0.989290 W\n0.995359 0.496178 0.989293 W\n0.783914 0.525832 0.442490 O\n0.283894 0.025858 0.442472 O\n0.930906 0.181173 0.749354 O\n0.430950 0.681205 0.749351 O\n0.294246 0.026101 0.065406 O\n0.794272 0.526108 0.065454 O\n0.985622 0.218114 0.446172 O\n0.485609 0.718218 0.445892 O\n0.545913 0.262328 0.952011 O\n0.045908 0.762235 0.951993 O\n0.316508 0.064519 0.749897 O\n0.816435 0.564459 0.749887 O\n0.698831 0.917266 0.262978 O\n0.198757 0.417270 0.262959 O\n0.471454 0.719627 0.061001 O\n0.971376 0.219533 0.061022 O\n0.035803 0.767652 0.564242 O\n0.535803 0.267651 0.564224 O\n0.725880 0.957188 0.951920 O\n0.225923 0.456910 0.952256 O\n0.089307 0.793437 0.262759 O\n0.589312 0.293453 0.262774 O\n0.231888 0.456615 0.562776 O\n0.731880 0.956610 0.562780 O\n","nsites":40,"nelements":5,"elements":["Li","V","Cr","W","O"],"chemical_system":"Cr-Li-O-V-W","density":5.52806375062574,"density_atomic":0.09644267819903614,"volume":414.75413942206103,"volume_molar":6.244269520980791,"formula_full":"Li8 V2 Cr2 W4 O24","formula_reduced":"Li4VCr(WO6)2","formula_anonymous":"ABC2D4E12","energy":-316.04924404,"energy_per_atom":-7.9012311010000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-274.41124404,"band_gap":1.1479,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.934000Z","spacegroup":1},{"id":"mp-1222705","created_at":"2022-09-04T14:41:31.492485Z","structure_string":"Lu5 Sc5 Si20 Ir8\n1.0\n8.829851 -8.830871 0.000000\n8.829851 8.830871 0.000000\n0.000000 0.000000 4.166219\nLu Sc Si Ir\n5 5 20 8\ndirect\n0.173992 0.826008 0.500000 Lu\n0.825444 0.174556 0.500000 Lu\n0.325248 0.324732 0.500000 Lu\n0.675268 0.674752 0.500000 Lu\n0.384330 0.615670 0.500000 Lu\n0.616180 0.383820 0.500000 Sc\n0.116344 0.116404 0.500000 Sc\n0.883596 0.883656 0.500000 Sc\n0.500002 0.000076 0.000000 Sc\n0.999924 0.499998 0.000000 Sc\n0.065154 0.934846 0.000000 Si\n0.934681 0.065319 0.000000 Si\n0.435016 0.433688 0.000000 Si\n0.566312 0.564984 0.000000 Si\n0.701955 0.835964 0.000000 Si\n0.298356 0.164073 0.000000 Si\n0.798470 0.335706 0.000000 Si\n0.200606 0.664773 0.000000 Si\n0.664294 0.201530 0.000000 Si\n0.335227 0.799394 0.000000 Si\n0.164036 0.298045 0.000000 Si\n0.835927 0.701644 0.000000 Si\n0.503479 0.848895 0.500000 Si\n0.497163 0.151753 0.500000 Si\n0.997200 0.347940 0.500000 Si\n0.002778 0.652041 0.500000 Si\n0.652060 0.002800 0.500000 Si\n0.347959 0.997222 0.500000 Si\n0.151105 0.496521 0.500000 Si\n0.848247 0.502837 0.500000 Si\n0.520078 0.755134 0.000000 Ir\n0.480155 0.244893 0.000000 Ir\n0.979919 0.254456 0.000000 Ir\n0.019716 0.745652 0.000000 Ir\n0.745544 0.020081 0.000000 Ir\n0.254348 0.980284 0.000000 Ir\n0.244866 0.479922 0.000000 Ir\n0.755107 0.519845 0.000000 Ir\n","nsites":38,"nelements":4,"elements":["Lu","Sc","Si","Ir"],"chemical_system":"Ir-Lu-Sc-Si","density":8.176031432166369,"density_atomic":0.05848635957266193,"volume":649.7241455555084,"volume_molar":10.296658578173682,"formula_full":"Lu5 Sc5 Si20 Ir8","formula_reduced":"Lu5Sc5(Si5Ir2)4","formula_anonymous":"A5B5C8D20","energy":-264.43059347,"energy_per_atom":-6.958699828157895,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-265.85059347,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0048667,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.185000Z","spacegroup":38},{"id":"mp-17235","created_at":"2022-09-04T14:41:31.513662Z","structure_string":"Sm8 Si8 O28\n1.0\n5.474794 0.000000 0.000000\n-0.377199 8.603338 0.000000\n-0.545571 -0.130120 13.068077\nSm Si O\n8 8 28\ndirect\n0.257062 0.895349 0.085538 Sm\n0.742938 0.104651 0.914462 Sm\n0.764569 0.701976 0.259362 Sm\n0.235431 0.298024 0.740638 Sm\n0.749860 0.597402 0.592309 Sm\n0.250140 0.402598 0.407691 Sm\n0.228847 0.825733 0.763976 Sm\n0.771153 0.174267 0.236024 Sm\n0.785285 0.495650 0.820773 Si\n0.214715 0.504350 0.179227 Si\n0.198784 0.754699 0.480999 Si\n0.801216 0.245301 0.519001 Si\n0.698048 0.753384 0.972930 Si\n0.301952 0.246616 0.027070 Si\n0.295082 0.000926 0.319507 Si\n0.704918 0.999074 0.680493 Si\n0.703128 0.577584 0.926497 O\n0.296872 0.422416 0.073503 O\n0.953387 0.853178 0.952461 O\n0.046613 0.146822 0.047539 O\n0.550217 0.483910 0.737808 O\n0.449783 0.516090 0.262192 O\n0.440100 0.650859 0.475564 O\n0.559900 0.349141 0.524436 O\n0.244891 0.927575 0.431782 O\n0.755109 0.072425 0.568218 O\n0.098211 0.772228 0.595687 O\n0.901789 0.227772 0.404313 O\n0.894730 0.325633 0.842896 O\n0.105270 0.674367 0.157104 O\n0.621599 0.753071 0.091755 O\n0.378401 0.246929 0.908245 O\n0.018582 0.353938 0.582771 O\n0.981418 0.646062 0.417229 O\n0.520354 0.140881 0.081845 O\n0.479646 0.859119 0.918155 O\n0.484980 0.084504 0.738809 O\n0.515020 0.915496 0.261191 O\n0.609148 0.816796 0.677744 O\n0.390852 0.183204 0.322256 O\n0.956360 0.028250 0.755347 O\n0.043640 0.971750 0.244653 O\n0.993907 0.408928 0.236354 O\n0.006093 0.591072 0.763646 O\n","nsites":44,"nelements":3,"elements":["Sm","Si","O"],"chemical_system":"O-Si-Sm","density":5.059768450625542,"density_atomic":0.07148356835066491,"volume":615.5260714484286,"volume_molar":8.424510553891487,"formula_full":"Sm8 Si8 O28","formula_reduced":"Sm2Si2O7","formula_anonymous":"A2B2C7","energy":-379.73074153,"energy_per_atom":-8.630244125681818,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-360.49474153,"band_gap":5.105700000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020693,"is_theoretical":false,"updated_at":"2021-11-28T01:35:19.564000Z","spacegroup":2},{"id":"mp-757232","created_at":"2022-09-04T14:41:31.763120Z","structure_string":"Li6 Mn4 Cu2 O12\n1.0\n-0.000002 -1.471493 2.406076\n6.696362 -3.341613 -0.390795\n6.557598 8.006667 4.896547\nLi Mn Cu O\n6 4 2 12\ndirect\n0.333462 0.333120 0.083377 Li\n0.333244 0.333535 0.583300 Li\n0.010349 0.979068 0.255063 Li\n0.010337 0.979092 0.755062 Li\n0.656375 0.687554 0.411648 Li\n0.656379 0.687553 0.911651 Li\n0.000089 0.999708 0.499709 Mn\n0.666564 0.666999 0.167023 Mn\n0.000111 0.999667 0.999616 Mn\n0.666559 0.667015 0.667077 Mn\n0.333247 0.333361 0.333170 Cu\n0.333327 0.333350 0.833334 Cu\n0.512244 0.975545 0.888278 O\n0.512243 0.975547 0.388301 O\n0.154471 0.691080 0.278409 O\n0.154464 0.691105 0.778436 O\n0.172412 0.655424 0.051630 O\n0.172468 0.655322 0.551671 O\n0.494256 0.011230 0.615070 O\n0.494212 0.011316 0.115037 O\n0.822558 0.354745 0.221166 O\n0.822593 0.354809 0.721409 O\n0.843968 0.311963 0.445295 O\n0.844067 0.311892 0.945266 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Cu","O"],"chemical_system":"Cu-Li-Mn-O","density":4.123749446463848,"density_atomic":0.1026750502176353,"volume":233.74714645016846,"volume_molar":5.865242575713538,"formula_full":"Li6 Mn4 Cu2 O12","formula_reduced":"Li3Mn2CuO6","formula_anonymous":"AB2C3D6","energy":-161.24911219,"energy_per_atom":-6.718713007916667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-146.33311219,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0005446,"is_theoretical":true,"updated_at":"2021-11-28T01:35:20.401000Z","spacegroup":12}]}