{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=85","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=83","results":[{"id":"mp-1204270","created_at":"2022-09-04T14:39:09.566827Z","structure_string":"Ba8 Ca8 Tl7 Cu12 O39\n1.0\n3.886759 -0.000000 0.000000\n-0.000000 3.886759 0.000000\n-1.943379 -1.943379 71.322316\nBa Ca Tl Cu O\n8 8 7 12 39\ndirect\n0.480907 0.480907 0.961813 Ba\n0.519093 0.519093 0.038187 Ba\n0.406682 0.406682 0.813363 Ba\n0.593318 0.593318 0.186637 Ba\n0.851397 0.851397 0.702795 Ba\n0.148603 0.148603 0.297205 Ba\n0.778697 0.778697 0.557394 Ba\n0.221303 0.221303 0.442606 Ba\n0.454968 0.454968 0.909936 Ca\n0.545032 0.545032 0.090064 Ca\n0.431705 0.431705 0.863410 Ca\n0.568295 0.568295 0.136590 Ca\n0.826599 0.826599 0.653198 Ca\n0.173401 0.173401 0.346802 Ca\n0.803784 0.803784 0.607567 Ca\n0.196216 0.196216 0.392433 Ca\n0.000000 0.000000 0.000000 Tl\n0.886971 0.886971 0.773941 Tl\n0.113029 0.113029 0.226059 Tl\n0.371036 0.371036 0.742073 Tl\n0.628964 0.628964 0.257927 Tl\n0.258243 0.258243 0.516485 Tl\n0.741757 0.741757 0.483515 Tl\n0.965989 0.965989 0.931978 Cu\n0.034011 0.034011 0.068022 Cu\n0.943065 0.943065 0.886131 Cu\n0.056935 0.056935 0.113869 Cu\n0.920509 0.920509 0.841019 Cu\n0.079491 0.079491 0.158981 Cu\n0.337588 0.337588 0.675176 Cu\n0.662412 0.662412 0.324824 Cu\n0.315174 0.315174 0.630349 Cu\n0.684826 0.684826 0.369651 Cu\n0.293019 0.293019 0.586038 Cu\n0.706981 0.706981 0.413962 Cu\n0.500000 0.500000 0.000000 O\n0.985313 0.985313 0.970625 O\n0.014687 0.014687 0.029375 O\n0.465310 0.965310 0.930620 O\n0.965310 0.465310 0.930620 O\n0.534690 0.034690 0.069380 O\n0.034690 0.534690 0.069380 O\n0.442872 0.942872 0.885744 O\n0.942872 0.442872 0.885744 O\n0.557128 0.057128 0.114256 O\n0.057128 0.557128 0.114256 O\n0.420481 0.920481 0.840963 O\n0.920481 0.420481 0.840963 O\n0.579519 0.079519 0.159037 O\n0.079519 0.579519 0.159037 O\n0.901235 0.901235 0.802470 O\n0.098765 0.098765 0.197530 O\n0.385674 0.385674 0.771348 O\n0.614326 0.614326 0.228652 O\n0.872324 0.872324 0.744649 O\n0.127676 0.127676 0.255351 O\n0.356762 0.356762 0.713523 O\n0.643238 0.643238 0.286477 O\n0.337605 0.837605 0.675210 O\n0.837605 0.337605 0.675210 O\n0.662395 0.162395 0.324790 O\n0.162395 0.662395 0.324790 O\n0.315292 0.815292 0.630584 O\n0.815292 0.315292 0.630584 O\n0.684708 0.184708 0.369416 O\n0.184708 0.684708 0.369416 O\n0.292849 0.792849 0.585698 O\n0.792849 0.292849 0.585698 O\n0.707151 0.207151 0.414302 O\n0.207151 0.707151 0.414302 O\n0.272655 0.272655 0.545310 O\n0.727345 0.727345 0.454690 O\n0.756486 0.756486 0.512972 O\n0.243514 0.243514 0.487028 O\n","nsites":74,"nelements":5,"elements":["Ba","Ca","Tl","Cu","O"],"chemical_system":"Ba-Ca-Cu-O-Tl","density":6.529060513536709,"density_atomic":0.06868012180554581,"volume":1077.4587763474908,"volume_molar":8.768389749002631,"formula_full":"Ba8 Ca8 Tl7 Cu12 O39","formula_reduced":"Ba8Ca8Tl7(Cu4O13)3","formula_anonymous":"A7B8C8D12E39","energy":-435.87174694999993,"energy_per_atom":-5.890158742567567,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-409.07874695,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.038942,"is_theoretical":false,"updated_at":"2021-11-28T01:34:39.671000Z","spacegroup":139},{"id":"mp-685404","created_at":"2022-09-04T14:39:09.593291Z","structure_string":"Li10 Fe21 O32\n1.0\n5.115217 -0.090198 2.985113\n1.622636 4.851157 2.980442\n-0.037886 -0.049155 23.949367\nLi Fe O\n10 21 32\ndirect\n0.998202 0.420046 0.004124 Li\n0.997228 0.499072 0.251083 Li\n0.499595 0.497409 0.500371 Li\n0.995904 0.990625 0.129041 Li\n0.995367 0.996864 0.252163 Li\n0.995460 0.004217 0.374146 Li\n0.001960 0.001606 0.624983 Li\n0.997310 0.999205 0.501124 Li\n0.497281 0.504422 0.874781 Li\n0.011543 0.015158 0.848639 Li\n0.431589 0.013796 0.997525 Fe\n0.500923 0.510075 0.999173 Fe\n0.495105 0.494488 0.127868 Fe\n0.499075 0.495068 0.252358 Fe\n0.495333 0.998412 0.126611 Fe\n0.500505 0.492526 0.377726 Fe\n0.010111 0.484156 0.127724 Fe\n0.495452 0.998028 0.250571 Fe\n0.494901 0.985055 0.378567 Fe\n0.487022 0.013234 0.625371 Fe\n0.987586 0.498962 0.375513 Fe\n0.501478 0.998560 0.499339 Fe\n0.504586 0.505284 0.620189 Fe\n0.520006 0.013788 0.868609 Fe\n0.996178 0.501702 0.500399 Fe\n0.500544 0.499531 0.750970 Fe\n0.515697 0.988930 0.749949 Fe\n0.013104 0.487182 0.625668 Fe\n0.990877 0.514694 0.749357 Fe\n0.012985 0.515762 0.868723 Fe\n0.928270 0.924481 0.975499 Fe\n0.252064 0.238351 0.060222 O\n0.241575 0.733539 0.067545 O\n0.244598 0.242230 0.190367 O\n0.708612 0.267974 0.066382 O\n0.249339 0.242121 0.314930 O\n0.272602 0.734314 0.187070 O\n0.761420 0.733885 0.067853 O\n0.247726 0.741741 0.314334 O\n0.749934 0.245997 0.188671 O\n0.238227 0.246683 0.439159 O\n0.720789 0.251431 0.316430 O\n0.747579 0.748060 0.188584 O\n0.248505 0.248422 0.562387 O\n0.252398 0.739840 0.437524 O\n0.745313 0.752092 0.312955 O\n0.258262 0.743204 0.563265 O\n0.742954 0.251389 0.437078 O\n0.251191 0.251380 0.688761 O\n0.744218 0.257413 0.563163 O\n0.750862 0.746879 0.438304 O\n0.245019 0.244839 0.811112 O\n0.268216 0.735575 0.684475 O\n0.756749 0.757336 0.561783 O\n0.736000 0.268007 0.684159 O\n0.244249 0.256311 0.931682 O\n0.272457 0.738048 0.811186 O\n0.738578 0.273692 0.810581 O\n0.756621 0.756855 0.683746 O\n0.288045 0.747900 0.936628 O\n0.754761 0.748904 0.813440 O\n0.745430 0.286670 0.935932 O\n0.769527 0.781578 0.940877 O\n","nsites":63,"nelements":3,"elements":["Li","Fe","O"],"chemical_system":"Fe-Li-O","density":4.863827632270553,"density_atomic":0.1051977413934588,"volume":598.8721731616696,"volume_molar":5.724591307978839,"formula_full":"Li10 Fe21 O32","formula_reduced":"Li10Fe21O32","formula_anonymous":"A10B21C32","energy":-461.10016418,"energy_per_atom":-7.319050225079365,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-391.74016418,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":96.0019984,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.353000Z","spacegroup":1},{"id":"mp-1095931","created_at":"2022-09-04T14:39:09.624720Z","structure_string":"Be2 Cr1 Ir1\n1.0\n-4.524513 4.632696 6.548715\n4.524513 -4.632696 6.548715\n4.524513 4.632696 -6.548715\nBe Cr Ir\n2 1 1\ndirect\n0.000000 0.268664 0.268664 Be\n0.000000 0.731336 0.731336 Be\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Ir\n","nsites":4,"nelements":3,"elements":["Be","Cr","Ir"],"chemical_system":"Be-Cr-Ir","density":0.7930893340372488,"density_atomic":0.007285146116997969,"volume":549.0624258952136,"volume_molar":82.66328036920113,"formula_full":"Be2 Cr1 Ir1","formula_reduced":"Be2CrIr","formula_anonymous":"ABC2","energy":-14.51275361,"energy_per_atom":-3.6281884025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.51275361,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0005912,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.718000Z","spacegroup":71},{"id":"mp-1094385","created_at":"2022-09-04T14:39:09.662881Z","structure_string":"Mg3 Ti3\n1.0\n1.479645 -8.274731 0.000000\n1.479645 8.274731 0.000000\n0.000000 0.000000 4.801478\nMg Ti\n3 3\ndirect\n0.998399 0.001601 0.000000 Mg\n0.678982 0.321018 0.000000 Mg\n0.106024 0.893976 0.500000 Mg\n0.339968 0.660032 0.000000 Ti\n0.425459 0.574541 0.500000 Ti\n0.784501 0.215499 0.500000 Ti\n","nsites":6,"nelements":2,"elements":["Mg","Ti"],"chemical_system":"Mg-Ti","density":3.0578961940084217,"density_atomic":0.05103109603766237,"volume":117.57537003657207,"volume_molar":11.800923804488722,"formula_full":"Mg3 Ti3","formula_reduced":"MgTi","formula_anonymous":"AB","energy":-28.03607903,"energy_per_atom":-4.672679838333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.03607903,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0043333,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.151000Z","spacegroup":38},{"id":"mp-33436","created_at":"2022-09-04T14:39:09.675155Z","structure_string":"Tl1 W6 O18\n1.0\n3.760449 -6.513289 0.000000\n3.760449 6.513289 0.000000\n0.000000 0.000000 7.730076\nTl W O\n1 6 18\ndirect\n0.000000 0.000000 0.500000 Tl\n0.000000 0.500000 0.750047 W\n0.500000 0.500000 0.750047 W\n0.500000 0.500000 0.249953 W\n0.500000 0.000000 0.249953 W\n0.500000 0.000000 0.750047 W\n0.000000 0.500000 0.249953 W\n0.212132 0.787868 0.251175 O\n0.212132 0.787868 0.748825 O\n0.212132 0.424263 0.748825 O\n0.212132 0.424263 0.251175 O\n0.575737 0.787868 0.251175 O\n0.575737 0.787868 0.748825 O\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.424263 0.212132 0.251175 O\n0.424263 0.212132 0.748825 O\n0.500000 0.000000 0.000000 O\n0.787868 0.575737 0.748825 O\n0.787868 0.575737 0.251175 O\n0.500000 0.000000 0.500000 O\n0.787868 0.212132 0.251175 O\n0.787868 0.212132 0.748825 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n","nsites":25,"nelements":3,"elements":["Tl","W","O"],"chemical_system":"O-Tl-W","density":6.996297633029869,"density_atomic":0.06602162318447558,"volume":378.66381942997333,"volume_molar":9.121467285306089,"formula_full":"Tl1 W6 O18","formula_reduced":"Tl(WO3)6","formula_anonymous":"AB6C18","energy":-222.75903274,"energy_per_atom":-8.9103613096,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-183.76503274,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.461621,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.319000Z","spacegroup":191},{"id":"mp-1017109","created_at":"2022-09-04T14:39:09.677718Z","structure_string":"Cs1 Mg6 Nb1\n1.0\n7.183260 0.000000 0.000000\n0.000000 7.183260 0.000000\n0.000000 0.000000 4.150189\nCs Mg Nb\n1 6 1\ndirect\n0.000000 0.000000 0.500000 Cs\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.707029 0.292971 0.000000 Mg\n0.292971 0.707029 0.000000 Mg\n0.707029 0.707029 0.000000 Mg\n0.292971 0.292971 0.000000 Mg\n0.500000 0.500000 0.500000 Nb\n","nsites":8,"nelements":3,"elements":["Cs","Mg","Nb"],"chemical_system":"Cs-Mg-Nb","density":2.8817920728844832,"density_atomic":0.03735759760140156,"volume":214.146532797919,"volume_molar":16.120257047187813,"formula_full":"Cs1 Mg6 Nb1","formula_reduced":"CsMg6Nb","formula_anonymous":"ABC6","energy":-17.37092621,"energy_per_atom":-2.17136577625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.37092621,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.3252172,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.032000Z","spacegroup":123},{"id":"mp-21906","created_at":"2022-09-04T14:39:09.719961Z","structure_string":"U20 Si16 C3\n1.0\n5.168467 -8.952047 0.000000\n5.168467 8.952047 0.000000\n0.000000 0.000000 7.857901\nU Si C\n20 16 3\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.500000 0.000000 0.299653 U\n0.500000 0.500000 0.299653 U\n0.000000 0.500000 0.299653 U\n0.500000 0.000000 0.700347 U\n0.500000 0.500000 0.700347 U\n0.000000 0.500000 0.700347 U\n0.216770 0.433541 0.000000 U\n0.783230 0.216770 0.000000 U\n0.433541 0.216770 0.000000 U\n0.566459 0.783230 0.000000 U\n0.216770 0.783230 0.000000 U\n0.783230 0.566459 0.000000 U\n0.212977 0.425955 0.500000 U\n0.787023 0.212977 0.500000 U\n0.425955 0.212977 0.500000 U\n0.574045 0.787023 0.500000 U\n0.212977 0.787023 0.500000 U\n0.787023 0.574045 0.500000 U\n0.333333 0.666667 0.254442 Si\n0.666667 0.333333 0.254442 Si\n0.666667 0.333333 0.745558 Si\n0.333333 0.666667 0.745558 Si\n0.226675 0.000000 0.249247 Si\n0.226675 0.226675 0.249247 Si\n0.000000 0.773325 0.249247 Si\n0.000000 0.226675 0.249247 Si\n0.773325 0.773325 0.249247 Si\n0.226675 0.000000 0.750753 Si\n0.773325 0.773325 0.750753 Si\n0.773325 0.000000 0.249247 Si\n0.000000 0.226675 0.750753 Si\n0.000000 0.773325 0.750753 Si\n0.773325 0.000000 0.750753 Si\n0.226675 0.226675 0.750753 Si\n0.500000 0.000000 0.000000 C\n0.500000 0.500000 0.000000 C\n0.000000 0.500000 0.000000 C\n","nsites":39,"nelements":3,"elements":["U","Si","C"],"chemical_system":"C-Si-U","density":11.979948119866163,"density_atomic":0.053634465512567266,"volume":727.1443767974491,"volume_molar":11.228117410042863,"formula_full":"U20 Si16 C3","formula_reduced":"U20Si16C3","formula_anonymous":"A3B16C20","energy":-349.03688137,"energy_per_atom":-8.949663624871794,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-350.17288137,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.8593648,"is_theoretical":false,"updated_at":"2021-11-28T01:34:43.526000Z","spacegroup":191},{"id":"mp-631482","created_at":"2022-09-04T14:40:17.976191Z","structure_string":"Bi1 Mo1 Rh1\n1.0\n0.000000 3.170436 3.170436\n3.170436 0.000000 3.170436\n3.170436 3.170436 0.000000\nBi Mo Rh\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Bi\n0.250000 0.250000 0.250000 Mo\n0.000000 0.000000 0.000000 Rh\n","nsites":3,"nelements":3,"elements":["Bi","Mo","Rh"],"chemical_system":"Bi-Mo-Rh","density":10.62519557888657,"density_atomic":0.047068925784775034,"volume":63.736317538191685,"volume_molar":12.7943025246349,"formula_full":"Bi1 Mo1 Rh1","formula_reduced":"BiMoRh","formula_anonymous":"ABC","energy":-20.4781525,"energy_per_atom":-6.826050833333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.4781525,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0044434,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.652000Z","spacegroup":216},{"id":"mp-780843","created_at":"2022-09-04T14:39:09.592488Z","structure_string":"Li4 Fe2 Ni3 Sn1 P6 O24\n1.0\n8.466314 0.000000 0.000000\n3.926949 7.654887 0.000000\n3.938502 2.463434 7.244592\nLi Fe Ni Sn P O\n4 2 3 1 6 24\ndirect\n0.254927 0.647060 0.850508 Li\n0.701201 0.358794 0.158100 Li\n0.362595 0.152456 0.701074 Li\n0.151846 0.697006 0.362067 Li\n0.984989 0.999438 0.995999 Fe\n0.512457 0.501932 0.497013 Fe\n0.857458 0.853004 0.851543 Ni\n0.644061 0.647915 0.645665 Ni\n0.353760 0.349301 0.352300 Ni\n0.146965 0.148361 0.152617 Sn\n0.749753 0.045424 0.458666 P\n0.447352 0.749385 0.043582 P\n0.055728 0.458833 0.752416 P\n0.943752 0.557185 0.255603 P\n0.559770 0.252760 0.946506 P\n0.254128 0.946341 0.557783 P\n0.889300 0.503723 0.700080 O\n0.689650 0.892354 0.485420 O\n0.946499 0.737697 0.088400 O\n0.451242 0.694601 0.896289 O\n0.978762 0.394834 0.193817 O\n0.750685 0.572471 0.404024 O\n0.749264 0.099486 0.924360 O\n0.550326 0.415676 0.764559 O\n0.825886 0.011819 0.602763 O\n0.401797 0.752067 0.573888 O\n0.898561 0.082468 0.249224 O\n0.606294 0.815978 0.991966 O\n0.398888 0.180867 0.988466 O\n0.101497 0.923186 0.750540 O\n0.592668 0.241974 0.437940 O\n0.189072 0.981484 0.397837 O\n0.436257 0.590985 0.238193 O\n0.241758 0.901908 0.085504 O\n0.250257 0.433242 0.591924 O\n0.046465 0.598803 0.820384 O\n0.525274 0.311871 0.106172 O\n0.081006 0.252929 0.902995 O\n0.315922 0.104752 0.522559 O\n0.101930 0.516630 0.324258 O\n","nsites":40,"nelements":6,"elements":["Li","Fe","Ni","Sn","P","O"],"chemical_system":"Fe-Li-Ni-O-P-Sn","density":3.551133726382656,"density_atomic":0.0851947638899879,"volume":469.5124227546666,"volume_molar":7.068674745993072,"formula_full":"Li4 Fe2 Ni3 Sn1 P6 O24","formula_reduced":"Li4Fe2Ni3Sn(PO4)6","formula_anonymous":"AB2C3D4E6F24","energy":-289.96267352,"energy_per_atom":-7.249066838,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-261.33967352,"band_gap":3.0536,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":14.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.629000Z","spacegroup":1},{"id":"mp-18769","created_at":"2022-09-04T14:39:09.594025Z","structure_string":"Ce4 V4 O12\n1.0\n5.436299 0.000000 0.000000\n0.000000 5.799305 0.000000\n0.000000 0.000000 7.837430\nCe V O\n4 4 12\ndirect\n0.520103 0.568632 0.250000 Ce\n0.020103 0.931368 0.750000 Ce\n0.479897 0.431368 0.750000 Ce\n0.979897 0.068632 0.250000 Ce\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.189254 0.193524 0.560389 O\n0.689254 0.306476 0.439611 O\n0.810746 0.806476 0.439611 O\n0.310746 0.693524 0.560389 O\n0.810746 0.806476 0.060389 O\n0.310746 0.693524 0.939611 O\n0.189254 0.193524 0.939611 O\n0.689254 0.306476 0.060389 O\n0.118599 0.454017 0.250000 O\n0.618599 0.045983 0.750000 O\n0.881401 0.545983 0.750000 O\n0.381401 0.954017 0.250000 O\n","nsites":20,"nelements":3,"elements":["Ce","V","O"],"chemical_system":"Ce-O-V","density":6.426214711827085,"density_atomic":0.08094257857474071,"volume":247.0887430591603,"volume_molar":7.440015954568683,"formula_full":"Ce4 V4 O12","formula_reduced":"CeVO3","formula_anonymous":"ABC3","energy":-183.97490575,"energy_per_atom":-9.1987452875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-168.93090575,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0001076,"is_theoretical":false,"updated_at":"2021-11-28T01:34:42.344000Z","spacegroup":62},{"id":"mp-1353912","created_at":"2022-09-04T14:39:09.602820Z","structure_string":"Li5 Fe3 Sb2 P6 O24\n1.0\n8.820993 0.000000 0.000000\n-0.057679 8.917850 0.000000\n-4.302795 -4.477656 6.425901\nLi Fe Sb P O\n5 3 2 6 24\ndirect\n0.772206 0.122097 0.540389 Li\n0.313745 0.837462 0.497525 Li\n0.320523 0.162642 0.996232 Li\n0.312243 0.681242 0.146558 Li\n0.532792 0.814237 0.366118 Li\n0.535915 0.163541 0.686054 Fe\n0.967246 0.333522 0.319694 Fe\n0.050609 0.652895 0.689135 Fe\n0.012106 0.991277 0.029619 Sb\n0.553968 0.489191 0.024817 Sb\n0.745673 0.753227 0.792279 P\n0.737371 0.051974 0.183950 P\n0.734711 0.455221 0.489904 P\n0.232177 0.549145 0.486014 P\n0.215736 0.970218 0.777467 P\n0.255271 0.246312 0.210697 P\n0.091195 0.331287 0.186328 O\n0.060801 0.501281 0.400980 O\n0.749029 0.929145 0.796533 O\n0.023011 0.090958 0.583077 O\n0.563894 0.789032 0.605098 O\n0.753078 0.598916 0.994240 O\n0.721144 0.081241 0.987896 O\n0.740265 0.244540 0.160007 O\n0.408300 0.399238 0.597997 O\n0.732849 0.410323 0.332853 O\n0.218810 0.729597 0.291815 O\n0.368147 0.036886 0.751795 O\n0.568185 0.019479 0.184797 O\n0.737492 0.264688 0.651712 O\n0.254745 0.607594 0.631274 O\n0.558599 0.607914 0.357116 O\n0.251766 0.766073 0.855795 O\n0.221301 0.976049 0.956709 O\n0.271121 0.363810 0.022106 O\n0.437929 0.195407 0.412653 O\n0.920081 0.909016 0.375758 O\n0.233097 0.062360 0.219758 O\n0.909291 0.489394 0.604695 O\n0.913578 0.698574 0.802551 O\n","nsites":40,"nelements":5,"elements":["Li","Fe","Sb","P","O"],"chemical_system":"Fe-Li-O-P-Sb","density":3.3362229130943275,"density_atomic":0.07913130361401798,"volume":505.48895535842115,"volume_molar":7.61031410448442,"formula_full":"Li5 Fe3 Sb2 P6 O24","formula_reduced":"Li5Fe3Sb2(PO4)6","formula_anonymous":"A2B3C5D6E24","energy":-139.8124968,"energy_per_atom":-3.49531242,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-129.1804968,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.983038,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.671000Z","spacegroup":1},{"id":"mp-532656","created_at":"2022-09-04T14:39:06.162797Z","structure_string":"K8 Fe4 Sn4 P12 O48\n1.0\n10.094794 0.000000 0.000000\n0.000000 10.094794 0.000000\n0.000000 0.000000 10.094794\nK Fe Sn P O\n8 4 4 12 48\ndirect\n0.062847 0.437153 0.562847 K\n0.201878 0.798122 0.298122 K\n0.298122 0.201878 0.798122 K\n0.437153 0.562847 0.062847 K\n0.562847 0.062847 0.437153 K\n0.701878 0.701878 0.701878 K\n0.798122 0.298122 0.201878 K\n0.937153 0.937153 0.937153 K\n0.146600 0.146600 0.146600 Fe\n0.353400 0.853400 0.646600 Fe\n0.646600 0.353400 0.853400 Fe\n0.853400 0.646600 0.353400 Fe\n0.086138 0.586138 0.913862 Sn\n0.413862 0.413862 0.413862 Sn\n0.586138 0.913862 0.086138 Sn\n0.913862 0.086138 0.586138 Sn\n0.040501 0.770893 0.624231 P\n0.124231 0.459499 0.229107 P\n0.229107 0.124231 0.459499 P\n0.270893 0.875769 0.959499 P\n0.375769 0.540501 0.729107 P\n0.459499 0.229107 0.124231 P\n0.540501 0.729107 0.375769 P\n0.624231 0.040501 0.770893 P\n0.729107 0.375769 0.540501 P\n0.770893 0.624231 0.040501 P\n0.875769 0.959499 0.270893 P\n0.959499 0.270893 0.875769 P\n0.998039 0.416758 0.843693 O\n0.012571 0.692551 0.755269 O\n0.018972 0.549205 0.291965 O\n0.049205 0.208035 0.981028 O\n0.081862 0.313443 0.238566 O\n0.083242 0.156307 0.498039 O\n0.156307 0.498039 0.083242 O\n0.186557 0.761434 0.581862 O\n0.192551 0.744731 0.987429 O\n0.208035 0.981028 0.049205 O\n0.238566 0.081862 0.313443 O\n0.244731 0.512571 0.807449 O\n0.255269 0.487429 0.307449 O\n0.261434 0.918138 0.813443 O\n0.291965 0.018972 0.549205 O\n0.307449 0.255269 0.487429 O\n0.313443 0.238566 0.081862 O\n0.343693 0.501961 0.583242 O\n0.416758 0.843693 0.998039 O\n0.418138 0.686557 0.738566 O\n0.450795 0.791965 0.481028 O\n0.481028 0.450795 0.791965 O\n0.487429 0.307449 0.255269 O\n0.501961 0.583242 0.343693 O\n0.498039 0.083242 0.156307 O\n0.512571 0.807449 0.244731 O\n0.518972 0.950795 0.708035 O\n0.549205 0.291965 0.018972 O\n0.581862 0.186557 0.761434 O\n0.583242 0.343693 0.501961 O\n0.656307 0.001961 0.916758 O\n0.686557 0.738566 0.418138 O\n0.692551 0.755269 0.012571 O\n0.708035 0.518972 0.950795 O\n0.738566 0.418138 0.686557 O\n0.744731 0.987429 0.192551 O\n0.755269 0.012571 0.692551 O\n0.761434 0.581862 0.186557 O\n0.791965 0.481028 0.450795 O\n0.807449 0.244731 0.512571 O\n0.813443 0.261434 0.918138 O\n0.843693 0.998039 0.416758 O\n0.916758 0.656307 0.001961 O\n0.918138 0.813443 0.261434 O\n0.950795 0.708035 0.518972 O\n0.981028 0.049205 0.208035 O\n0.987429 0.192551 0.744731 O\n0.001961 0.916758 0.656307 O\n","nsites":76,"nelements":5,"elements":["K","Fe","Sn","P","O"],"chemical_system":"Fe-K-O-P-Sn","density":3.4715947793418565,"density_atomic":0.07387903422424277,"volume":1028.7086288827156,"volume_molar":8.151352847576732,"formula_full":"K8 Fe4 Sn4 P12 O48","formula_reduced":"K2FeSn(PO4)3","formula_anonymous":"ABC2D3E12","energy":-552.8248135700001,"energy_per_atom":-7.274010704868422,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-510.82481357,"band_gap":2.6995999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0032907,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.949000Z","spacegroup":198}]}