{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-band_gap&page=10213","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-band_gap&page=10211","results":[{"id":"mp-1186514","created_at":"2022-09-04T14:42:23.805565Z","structure_string":"Pm6 Hg2\n1.0\n3.535267 -6.123263 0.000000\n3.535267 6.123263 0.000000\n0.000000 0.000000 5.541408\nPm Hg\n6 2\ndirect\n0.175119 0.350237 0.250000 Pm\n0.649763 0.824881 0.250000 Pm\n0.175119 0.824881 0.250000 Pm\n0.824881 0.649763 0.750000 Pm\n0.350237 0.175119 0.750000 Pm\n0.824881 0.175119 0.750000 Pm\n0.333333 0.666667 0.750000 Hg\n0.666667 0.333333 0.250000 Hg\n","nsites":8,"nelements":2,"elements":["Pm","Hg"],"chemical_system":"Hg-Pm","density":8.798343090340577,"density_atomic":0.033345307863946745,"volume":239.91381434056794,"volume_molar":18.059934502842584,"formula_full":"Pm6 Hg2","formula_reduced":"Pm3Hg","formula_anonymous":"AB3","energy":-30.36041382,"energy_per_atom":-3.7950517275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.36041382,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9181904,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.155000Z","spacegroup":194},{"id":"mp-1226256","created_at":"2022-09-04T14:42:23.814966Z","structure_string":"Cr2 Fe2 Si4\n1.0\n4.500166 0.000000 0.000000\n0.000000 4.532639 0.000000\n0.000000 0.069621 4.541899\nCr Fe Si\n2 2 4\ndirect\n0.637487 0.630076 0.894381 Cr\n0.137487 0.369924 0.105619 Cr\n0.362139 0.858785 0.385751 Fe\n0.862139 0.141215 0.614249 Fe\n0.345625 0.336078 0.590990 Si\n0.845625 0.663922 0.409010 Si\n0.654749 0.145005 0.098206 Si\n0.154749 0.854995 0.901794 Si\n","nsites":8,"nelements":3,"elements":["Cr","Fe","Si"],"chemical_system":"Cr-Fe-Si","density":5.87946547766004,"density_atomic":0.0863520891745555,"volume":92.64396584347237,"volume_molar":6.973937535925285,"formula_full":"Cr2 Fe2 Si4","formula_reduced":"CrFeSi2","formula_anonymous":"ABC2","energy":-60.72286296,"energy_per_atom":-7.59035787,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.00686296,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.6724757,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.716000Z","spacegroup":4},{"id":"mp-705871","created_at":"2022-09-04T14:42:23.822331Z","structure_string":"Ca14 Al6 Si20 N42\n1.0\n5.052778 0.000000 0.000000\n-0.007851 5.659106 0.000000\n-0.080375 -2.749019 34.276642\nCa Al Si N\n14 6 20 42\ndirect\n0.496966 0.696327 0.994247 Ca\n0.493418 0.533906 0.720080 Ca\n0.544841 0.133955 0.866716 Ca\n0.493314 0.950732 0.565286 Ca\n0.494076 0.841659 0.290152 Ca\n0.542258 0.413152 0.417298 Ca\n0.484661 0.245531 0.143601 Ca\n0.016707 0.715333 0.866559 Ca\n0.991831 0.357728 0.983161 Ca\n0.016143 0.998606 0.413397 Ca\n0.996900 0.173013 0.712259 Ca\n0.990765 0.887265 0.142693 Ca\n0.983890 0.527174 0.310093 Ca\n0.996918 0.602953 0.570970 Ca\n0.475379 0.039529 0.764954 Al\n0.499187 0.334589 0.333979 Al\n0.483943 0.893164 0.475444 Al\n0.465190 0.450186 0.622867 Al\n0.463434 0.752312 0.191927 Al\n0.462000 0.183638 0.048805 Al\n0.011819 0.848214 0.951075 Si\n0.983404 0.227104 0.806900 Si\n0.960047 0.661310 0.667141 Si\n0.974084 0.725664 0.766089 Si\n0.982443 0.103030 0.521939 Si\n0.959359 0.137691 0.621520 Si\n0.986259 0.568459 0.481077 Si\n0.963026 0.970104 0.234668 Si\n0.016199 0.034310 0.332519 Si\n0.957986 0.390842 0.092512 Si\n0.963860 0.441395 0.192444 Si\n0.955799 0.873488 0.049109 Si\n0.494785 0.154502 0.950765 Si\n0.485941 0.555287 0.810481 Si\n0.494533 0.616342 0.911640 Si\n0.490558 0.417957 0.523534 Si\n0.471609 0.971994 0.665226 Si\n0.506919 0.840547 0.372349 Si\n0.464098 0.698938 0.092152 Si\n0.474881 0.279556 0.234990 Si\n0.674498 0.871961 0.934602 N\n0.618210 0.688095 0.658145 N\n0.641781 0.284849 0.795127 N\n0.645088 0.141641 0.512054 N\n0.662677 0.583478 0.360327 N\n0.614802 0.418473 0.084471 N\n0.626261 0.998711 0.221916 N\n0.635030 0.752175 0.778550 N\n0.642709 0.368163 0.925529 N\n0.651878 0.628477 0.498345 N\n0.687507 0.059563 0.348971 N\n0.617961 0.151633 0.632154 N\n0.614387 0.886029 0.060594 N\n0.622101 0.460726 0.200762 N\n0.532015 0.255466 0.999617 N\n0.507547 0.100465 0.711735 N\n0.513890 0.643525 0.859413 N\n0.512181 0.527194 0.573077 N\n0.517871 0.395774 0.280662 N\n0.504326 0.926086 0.423576 N\n0.489465 0.818354 0.139448 N\n0.134722 0.859907 0.497361 N\n0.143110 0.518470 0.794194 N\n0.176621 0.091162 0.940895 N\n0.177918 0.615366 0.928471 N\n0.144428 0.374932 0.516780 N\n0.119874 0.928066 0.652382 N\n0.095812 0.421292 0.637230 N\n0.104473 0.011997 0.769566 N\n0.114160 0.662180 0.079661 N\n0.133943 0.225400 0.217438 N\n0.097015 0.153277 0.063601 N\n0.197705 0.815623 0.351318 N\n0.095961 0.727326 0.202982 N\n0.168146 0.281237 0.348515 N\n0.040158 0.131727 0.850319 N\n0.995942 0.782447 0.001118 N\n0.026949 0.433017 0.437514 N\n0.008274 0.045893 0.573457 N\n0.004787 0.611938 0.716030 N\n0.006118 0.344017 0.141849 N\n0.999473 0.926144 0.281913 N\n","nsites":82,"nelements":4,"elements":["Ca","Al","Si","N"],"chemical_system":"Al-Ca-N-Si","density":3.173249455332971,"density_atomic":0.08366379063984489,"volume":980.1133724981796,"volume_molar":7.198025231637013,"formula_full":"Ca14 Al6 Si20 N42","formula_reduced":"Ca7Al3Si10N21","formula_anonymous":"A3B7C10D21","energy":-618.31889387,"energy_per_atom":-7.540474315487805,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-603.15689387,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1268258,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.499000Z","spacegroup":1},{"id":"mp-1214814","created_at":"2022-09-04T14:42:23.830989Z","structure_string":"Ba2 Gd1 Co1 Cu2 O7\n1.0\n3.881135 0.000000 0.000000\n0.000000 3.919828 0.000000\n0.000000 0.000000 11.844703\nBa Gd Co Cu O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.184661 Ba\n0.500000 0.500000 0.815339 Ba\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.358490 Cu\n0.000000 0.000000 0.641510 Cu\n0.500000 0.000000 0.375794 O\n0.500000 0.000000 0.624206 O\n0.000000 0.000000 0.151788 O\n0.000000 0.000000 0.848212 O\n0.000000 0.500000 0.375970 O\n0.000000 0.500000 0.624030 O\n0.000000 0.500000 0.000000 O\n","nsites":13,"nelements":5,"elements":["Ba","Gd","Co","Cu","O"],"chemical_system":"Ba-Co-Cu-Gd-O","density":6.726318027546892,"density_atomic":0.07214287019193609,"volume":180.19798720807063,"volume_molar":8.347520335659082,"formula_full":"Ba2 Gd1 Co1 Cu2 O7","formula_reduced":"Ba2GdCoCu2O7","formula_anonymous":"ABC2D2E7","energy":-96.60297441,"energy_per_atom":-7.430998031538461,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.15597441,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.5576481,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.430000Z","spacegroup":47},{"id":"mp-1273989","created_at":"2022-09-04T14:42:23.848777Z","structure_string":"La4 Co4 O12\n1.0\n4.761710 -0.004944 2.625932\n-3.330248 4.656308 5.635272\n-1.566455 -4.534686 2.828300\nLa Co O\n4 4 12\ndirect\n0.251137 0.499376 0.750926 La\n0.750740 0.999766 0.251642 La\n0.749260 0.500234 0.248350 La\n0.248863 0.000623 0.749081 La\n0.250000 0.750000 0.249997 Co\n0.250001 0.250000 0.249997 Co\n0.750001 0.250000 0.750003 Co\n0.750001 0.750000 0.750004 Co\n0.744955 0.499932 0.825294 O\n0.247057 0.000249 0.325328 O\n0.252942 0.499752 0.174673 O\n0.755044 0.000068 0.674706 O\n0.027313 0.216710 0.956081 O\n0.540032 0.714534 0.477073 O\n0.959968 0.785467 0.022927 O\n0.472686 0.283290 0.543918 O\n0.460473 0.788557 0.978175 O\n0.973204 0.286885 0.456548 O\n0.526795 0.213116 0.043452 O\n0.039527 0.711443 0.521825 O\n","nsites":20,"nelements":3,"elements":["La","Co","O"],"chemical_system":"Co-La-O","density":6.714259250947069,"density_atomic":0.08223789853956326,"volume":243.1968758343009,"volume_molar":7.322829093332012,"formula_full":"La4 Co4 O12","formula_reduced":"LaCoO3","formula_anonymous":"ABC3","energy":-159.29334101,"energy_per_atom":-7.9646670505,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.49734101,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.7e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:47.767000Z","spacegroup":14},{"id":"mp-977553","created_at":"2022-09-04T14:42:23.865111Z","structure_string":"Yb2 Pt1 Au1\n1.0\n0.000000 3.508990 3.508990\n3.508990 0.000000 3.508990\n3.508990 3.508990 0.000000\nYb Pt Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Yb","Pt","Au"],"chemical_system":"Au-Pt-Yb","density":14.184234472038458,"density_atomic":0.04628961876417234,"volume":86.41246367524539,"volume_molar":13.009700491767866,"formula_full":"Yb2 Pt1 Au1","formula_reduced":"Yb2PtAu","formula_anonymous":"ABC2","energy":-16.58203488,"energy_per_atom":-4.14550872,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.58203488,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0086759,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.229000Z","spacegroup":225},{"id":"mp-618324","created_at":"2022-09-04T14:42:23.866711Z","structure_string":"Zr3 Co9 B6\n1.0\n3.883199 -4.223860 0.000000\n3.883199 4.223860 0.000000\n-0.711205 0.000000 5.693366\nZr Co B\n3 9 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.669688 0.669688 0.669688 Zr\n0.330312 0.330312 0.330312 Zr\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.693260 0.195772 0.693260 Co\n0.693260 0.693260 0.195772 Co\n0.195772 0.693260 0.693260 Co\n0.306740 0.804228 0.306740 Co\n0.306740 0.306740 0.804228 Co\n0.804228 0.306740 0.306740 Co\n0.624494 0.375506 0.000000 B\n0.000000 0.624494 0.375506 B\n0.375506 0.000000 0.624494 B\n0.000000 0.375506 0.624494 B\n0.624494 0.000000 0.375506 B\n0.375506 0.624494 0.000000 B\n","nsites":18,"nelements":3,"elements":["Zr","Co","B"],"chemical_system":"B-Co-Zr","density":7.725720706730575,"density_atomic":0.09637718645244955,"volume":186.76619086489742,"volume_molar":6.248512725541325,"formula_full":"Zr3 Co9 B6","formula_reduced":"ZrCo3B2","formula_anonymous":"AB2C3","energy":-139.92292587,"energy_per_atom":-7.773495881666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-139.92292587,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0183712,"is_theoretical":true,"updated_at":"2021-11-28T01:35:48.944000Z","spacegroup":166},{"id":"mp-1247648","created_at":"2022-09-04T14:42:23.872384Z","structure_string":"Ca8 Mn6 Cr2 O23\n1.0\n7.662727 0.000000 0.000000\n0.000000 7.590597 0.000000\n0.000000 0.000000 7.643487\nCa Mn Cr O\n8 6 2 23\ndirect\n0.254810 0.260171 0.251515 Ca\n0.261526 0.263051 0.741049 Ca\n0.254810 0.739829 0.251515 Ca\n0.261526 0.736949 0.741049 Ca\n0.745190 0.260171 0.251515 Ca\n0.738474 0.263051 0.741049 Ca\n0.745190 0.739829 0.251515 Ca\n0.738474 0.736949 0.741049 Ca\n0.000000 0.000000 0.504226 Mn\n0.000000 0.500000 0.002674 Mn\n0.000000 0.500000 0.496082 Mn\n0.500000 0.000000 0.495658 Mn\n0.500000 0.500000 0.998739 Mn\n0.500000 0.500000 0.497362 Mn\n0.000000 0.000000 0.992933 Cr\n0.500000 0.000000 0.004862 Cr\n0.000000 0.000000 0.759358 O\n0.000000 0.500000 0.250821 O\n0.000000 0.500000 0.750684 O\n0.500000 0.000000 0.247811 O\n0.500000 0.000000 0.750190 O\n0.500000 0.500000 0.248484 O\n0.500000 0.500000 0.749306 O\n0.241248 0.000000 0.030984 O\n0.247672 0.000000 0.474081 O\n0.249107 0.500000 0.993951 O\n0.249292 0.500000 0.506177 O\n0.758752 0.000000 0.030984 O\n0.752328 0.000000 0.474081 O\n0.750893 0.500000 0.993951 O\n0.750708 0.500000 0.506177 O\n0.000000 0.239438 0.038249 O\n0.000000 0.247221 0.472472 O\n0.000000 0.760562 0.038249 O\n0.000000 0.752779 0.472472 O\n0.500000 0.248068 0.993981 O\n0.500000 0.249035 0.505384 O\n0.500000 0.751932 0.993981 O\n0.500000 0.750965 0.505384 O\n","nsites":39,"nelements":4,"elements":["Ca","Mn","Cr","O"],"chemical_system":"Ca-Cr-Mn-O","density":4.191605601701509,"density_atomic":0.08772306313374904,"volume":444.58091870934476,"volume_molar":6.86494582481485,"formula_full":"Ca8 Mn6 Cr2 O23","formula_reduced":"Ca8Mn6Cr2O23","formula_anonymous":"A2B6C8D23","energy":-300.22818237,"energy_per_atom":-7.6981585223076925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-270.42118237,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":21.9998617,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.268000Z","spacegroup":25},{"id":"mp-1099093","created_at":"2022-09-04T14:42:23.873607Z","structure_string":"Ce1 Mg14 Si1\n1.0\n3.184615 -5.515915 0.000000\n3.184615 5.515915 0.000000\n0.000000 0.000000 10.401610\nCe Mg Si\n1 14 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.007648 0.503824 0.000000 Mg\n0.997011 0.498505 0.500000 Mg\n0.496176 0.992352 0.000000 Mg\n0.501495 0.002989 0.500000 Mg\n0.496176 0.503824 0.000000 Mg\n0.501495 0.498505 0.500000 Mg\n0.165071 0.834929 0.256486 Mg\n0.165071 0.834929 0.743514 Mg\n0.165071 0.330142 0.256486 Mg\n0.165071 0.330142 0.743514 Mg\n0.669858 0.834929 0.256486 Mg\n0.669858 0.834929 0.743514 Mg\n0.666667 0.333333 0.243839 Mg\n0.666667 0.333333 0.756161 Mg\n0.000000 0.000000 0.500000 Si\n","nsites":16,"nelements":3,"elements":["Ce","Mg","Si"],"chemical_system":"Ce-Mg-Si","density":2.310524881561693,"density_atomic":0.04378394799647282,"volume":365.4307282040656,"volume_molar":13.754220520463656,"formula_full":"Ce1 Mg14 Si1","formula_reduced":"CeMg14Si","formula_anonymous":"ABC14","energy":-32.57558659,"energy_per_atom":-2.035974161875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.64658659,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.1204804,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.647000Z","spacegroup":187},{"id":"mp-1184244","created_at":"2022-09-04T14:42:23.875380Z","structure_string":"Er1 Sb1 Rh2\n1.0\n0.000000 3.318827 3.318827\n3.318827 0.000000 3.318827\n3.318827 3.318827 0.000000\nEr Sb Rh\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Er\n0.749999 0.749999 0.749999 Sb\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n","nsites":4,"nelements":3,"elements":["Er","Sb","Rh"],"chemical_system":"Er-Rh-Sb","density":11.238834596553913,"density_atomic":0.05471118884642796,"volume":73.11118775407776,"volume_molar":11.007146594646114,"formula_full":"Er1 Sb1 Rh2","formula_reduced":"ErSbRh2","formula_anonymous":"ABC2","energy":-26.40424925,"energy_per_atom":-6.6010623125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.40424925,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018919,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.449000Z","spacegroup":225},{"id":"mp-10300","created_at":"2022-09-04T14:42:23.857480Z","structure_string":"Zr3 Mo3 P3\n1.0\n3.483947 -6.034373 0.000000\n3.483947 6.034373 0.000000\n0.000000 0.000000 3.456426\nZr Mo P\n3 3 3\ndirect\n0.404086 0.404086 0.500000 Zr\n0.595914 0.000000 0.500000 Zr\n0.000000 0.595914 0.500000 Zr\n0.000000 0.251333 0.000000 Mo\n0.251333 0.000000 0.000000 Mo\n0.748667 0.748667 0.000000 Mo\n0.666667 0.333333 0.000000 P\n0.333333 0.666667 0.000000 P\n0.000000 0.000000 0.500000 P\n","nsites":9,"nelements":3,"elements":["Zr","Mo","P"],"chemical_system":"Mo-P-Zr","density":7.4772216569336845,"density_atomic":0.06192721642665808,"volume":145.3318995963418,"volume_molar":9.724546180970638,"formula_full":"Zr3 Mo3 P3","formula_reduced":"ZrMoP","formula_anonymous":"ABC","energy":-83.27030226,"energy_per_atom":-9.252255806666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.27030226,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0102759,"is_theoretical":false,"updated_at":"2021-11-28T01:35:47.826000Z","spacegroup":189},{"id":"mp-780185","created_at":"2022-09-04T14:42:23.932055Z","structure_string":"Mn12 O14 F10\n1.0\n4.601320 0.000000 0.000000\n0.086590 5.604641 0.000000\n0.032601 0.036039 15.366008\nMn O F\n12 14 10\ndirect\n0.019613 0.835598 0.589759 Mn\n0.994646 0.156522 0.752021 Mn\n0.023877 0.821209 0.922185 Mn\n0.012809 0.832197 0.254427 Mn\n0.002720 0.148781 0.425168 Mn\n0.052649 0.152416 0.085790 Mn\n0.494207 0.655858 0.413504 Mn\n0.485404 0.644412 0.079163 Mn\n0.504578 0.651217 0.746202 Mn\n0.518377 0.379325 0.914063 Mn\n0.496581 0.362783 0.572912 Mn\n0.486729 0.355843 0.247578 Mn\n0.210756 0.885189 0.699549 O\n0.215955 0.893039 0.366073 O\n0.234961 0.880203 0.031391 O\n0.227883 0.112737 0.532882 O\n0.223638 0.105110 0.199042 O\n0.288288 0.607700 0.854881 O\n0.276969 0.607929 0.521972 O\n0.273121 0.596980 0.184906 O\n0.292337 0.396425 0.020130 O\n0.718043 0.618606 0.974295 O\n0.735710 0.393270 0.804898 O\n0.723858 0.609039 0.637340 O\n0.716549 0.381382 0.469903 O\n0.714474 0.614806 0.304321 O\n0.256891 0.123428 0.865534 F\n0.254143 0.376995 0.683652 F\n0.232088 0.390595 0.358175 F\n0.752113 0.383507 0.131979 F\n0.770587 0.900516 0.813719 F\n0.771232 0.878028 0.483459 F\n0.737466 0.121933 0.638283 F\n0.782781 0.131498 0.972463 F\n0.751976 0.873506 0.138094 F\n0.745994 0.121416 0.310290 F\n","nsites":36,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":4.497296164512499,"density_atomic":0.09084712938074549,"volume":396.27008850353377,"volume_molar":6.628872922072051,"formula_full":"Mn12 O14 F10","formula_reduced":"Mn6O7F5","formula_anonymous":"A5B6C7","energy":-277.87004798,"energy_per_atom":-7.718612443888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-243.61604798,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":46.004618,"is_theoretical":true,"updated_at":"2021-11-28T01:35:47.967000Z","spacegroup":1}]}