{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_theoretical&page=41","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_theoretical&page=39","results":[{"id":"mp-1176090","created_at":"2022-09-04T14:43:08.257056Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n3.017693 0.000000 0.000000\n-0.118917 8.059890 0.000000\n-0.950041 -0.182069 11.958867\nLi Mn Co O\n9 2 5 16\ndirect\n0.999325 0.002140 0.249271 Li\n0.499515 0.745726 0.628694 Li\n0.004298 0.502337 0.998671 Li\n0.499725 0.250043 0.376400 Li\n0.000941 0.999788 0.749849 Li\n0.502238 0.747787 0.124598 Li\n0.995108 0.496030 0.501829 Li\n0.498403 0.256990 0.870116 Li\n0.999599 0.499680 0.749552 Li\n0.000847 0.998250 0.998957 Mn\n0.508399 0.751309 0.377085 Mn\n0.491562 0.250579 0.124091 Co\n0.999975 0.003583 0.502025 Co\n0.505291 0.739039 0.868501 Co\n0.999229 0.497727 0.248792 Co\n0.497594 0.259459 0.630221 Co\n0.475082 0.011970 0.121183 O\n0.978445 0.763200 0.499756 O\n0.495359 0.523388 0.876602 O\n0.964670 0.258363 0.243140 O\n0.476171 0.020698 0.617609 O\n0.975386 0.757802 0.993602 O\n0.516284 0.508750 0.368853 O\n0.974439 0.249073 0.740855 O\n0.527260 0.993496 0.382929 O\n0.023499 0.749707 0.758730 O\n0.482578 0.486996 0.131394 O\n0.024009 0.238546 0.507970 O\n0.521472 0.980231 0.878665 O\n0.036435 0.740473 0.253227 O\n0.503709 0.475202 0.622463 O\n0.023158 0.241640 0.004369 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.127566402265342,"density_atomic":0.11001598013870091,"volume":290.8668355238621,"volume_molar":5.473878206063955,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-207.41563266,"energy_per_atom":-6.481738520625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-184.89763266,"band_gap":0.0996999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.0001275,"is_theoretical":true,"updated_at":"2021-11-28T01:36:01.801000Z","spacegroup":1},{"id":"mp-1183984","created_at":"2022-09-04T14:43:07.227582Z","structure_string":"Cu3 Te1\n1.0\n3.946662 0.000000 0.000000\n0.000000 3.946662 0.000000\n0.000000 0.000000 3.946662\nCu Te\n3 1\ndirect\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Te\n","nsites":4,"nelements":2,"elements":["Cu","Te"],"chemical_system":"Cu-Te","density":8.596295408717864,"density_atomic":0.06506840915758728,"volume":61.473763563398585,"volume_molar":9.255091430643636,"formula_full":"Cu3 Te1","formula_reduced":"Cu3Te","formula_anonymous":"AB3","energy":-15.27500561,"energy_per_atom":-3.8187514025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.85300561,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003361,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.392000Z","spacegroup":221},{"id":"mp-768868","created_at":"2022-09-04T14:43:08.272380Z","structure_string":"Li4 V2 B2 O8\n1.0\n6.248257 -0.000291 -0.000945\n0.003284 5.183463 0.005540\n0.001621 -0.001057 4.750284\nLi V B O\n4 2 2 8\ndirect\n0.246883 0.351857 0.492366 Li\n0.495542 0.190176 0.995581 Li\n0.746384 0.648157 0.990845 Li\n0.994750 0.809837 0.494287 Li\n0.005684 0.175600 0.990439 V\n0.505108 0.824186 0.489979 V\n0.247676 0.678932 0.006125 B\n0.747715 0.320993 0.506144 B\n0.048511 0.814031 0.903647 O\n0.242895 0.402982 0.910567 O\n0.250776 0.691889 0.319494 O\n0.448406 0.810038 0.900222 O\n0.548593 0.186023 0.404489 O\n0.742436 0.596836 0.409484 O\n0.751140 0.308274 0.819432 O\n0.948449 0.190067 0.400292 O\n","nsites":16,"nelements":4,"elements":["Li","V","B","O"],"chemical_system":"B-Li-O-V","density":3.0141562506078894,"density_atomic":0.1039971365900384,"volume":153.8503897763335,"volume_molar":5.790679395087158,"formula_full":"Li4 V2 B2 O8","formula_reduced":"Li2VBO4","formula_anonymous":"ABC2D4","energy":-119.15099171,"energy_per_atom":-7.446936981875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-110.25499171,"band_gap":2.1977,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0007052,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.092000Z","spacegroup":7},{"id":"mp-760056","created_at":"2022-09-04T14:43:07.035060Z","structure_string":"Na4 Li2 Mn2 P10 O30\n1.0\n13.954926 0.000000 0.000000\n0.000000 5.232938 0.000000\n0.000000 2.327606 8.832406\nNa Li Mn P O\n4 2 2 10 30\ndirect\n0.901167 0.410572 0.144895 Na\n0.598833 0.410572 0.144895 Na\n0.401167 0.589428 0.855105 Na\n0.098833 0.589428 0.855105 Na\n0.250000 0.473846 0.169727 Li\n0.750000 0.526154 0.830273 Li\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.355975 0.490243 0.488484 P\n0.144025 0.490243 0.488484 P\n0.922031 0.147843 0.813810 P\n0.577969 0.147843 0.813810 P\n0.250000 0.038534 0.998281 P\n0.750000 0.961466 0.001719 P\n0.422031 0.852157 0.186190 P\n0.077969 0.852157 0.186190 P\n0.644025 0.509757 0.511516 P\n0.855975 0.509757 0.511516 P\n0.750000 0.444088 0.463950 O\n0.959184 0.295194 0.922034 O\n0.540816 0.295194 0.922034 O\n0.250000 0.281248 0.871391 O\n0.853433 0.355873 0.693151 O\n0.646567 0.355873 0.693151 O\n0.577951 0.378013 0.423413 O\n0.922049 0.378013 0.423413 O\n0.365656 0.203197 0.494256 O\n0.134344 0.203197 0.494256 O\n0.988964 0.003994 0.734718 O\n0.511036 0.003994 0.734718 O\n0.839830 0.930000 0.891382 O\n0.660170 0.930000 0.891382 O\n0.750000 0.239985 0.021309 O\n0.250000 0.760015 0.978691 O\n0.339830 0.070000 0.108618 O\n0.160170 0.070000 0.108618 O\n0.488964 0.996006 0.265282 O\n0.011036 0.996006 0.265282 O\n0.865656 0.796803 0.505744 O\n0.634344 0.796803 0.505744 O\n0.422049 0.621987 0.576587 O\n0.077951 0.621987 0.576587 O\n0.353433 0.644127 0.306849 O\n0.146567 0.644127 0.306849 O\n0.750000 0.718752 0.128609 O\n0.459184 0.704806 0.077966 O\n0.040816 0.704806 0.077966 O\n0.250000 0.555912 0.536050 O\n","nsites":48,"nelements":5,"elements":["Na","Li","Mn","P","O"],"chemical_system":"Li-Mn-Na-O-P","density":2.588521148146131,"density_atomic":0.0744199006972647,"volume":644.9887671210537,"volume_molar":8.092110717128843,"formula_full":"Na4 Li2 Mn2 P10 O30","formula_reduced":"Na2LiMn(PO3)5","formula_anonymous":"ABC2D5E15","energy":-354.58694802,"energy_per_atom":-7.38722808375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-330.64094802,"band_gap":3.6781000000000006,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9995033,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.288000Z","spacegroup":11},{"id":"mp-1026980","created_at":"2022-09-04T14:43:08.283344Z","structure_string":"Mo4 Se6 S2\n1.0\n1.643763 -2.847081 0.000000\n1.643763 2.847081 0.000000\n0.000000 0.000000 37.308583\nMo Se S\n4 6 2\ndirect\n0.333333 0.666667 0.093917 Mo\n0.333333 0.666667 0.469633 Mo\n0.666667 0.333333 0.281777 Mo\n0.666667 0.333333 0.657552 Mo\n0.333333 0.666667 0.702750 Se\n0.666667 0.333333 0.048719 Se\n0.666667 0.333333 0.424447 Se\n0.666667 0.333333 0.139144 Se\n0.666667 0.333333 0.514869 Se\n0.333333 0.666667 0.612327 Se\n0.333333 0.666667 0.322978 S\n0.333333 0.666667 0.240634 S\n","nsites":12,"nelements":3,"elements":["Mo","Se","S"],"chemical_system":"Mo-S-Se","density":4.382655669904991,"density_atomic":0.034363981150199056,"volume":349.2028454895858,"volume_molar":17.52457241109014,"formula_full":"Mo4 Se6 S2","formula_reduced":"Mo2Se3S","formula_anonymous":"AB2C3","energy":-84.99918658,"energy_per_atom":-7.083265548333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.16118658,"band_gap":0.5379999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001479,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.429000Z","spacegroup":156},{"id":"mp-1147770","created_at":"2022-09-04T14:43:08.284659Z","structure_string":"In2 Co1 S2 O2\n1.0\n-1.973178 1.973178 8.556589\n1.973178 -1.973178 8.556589\n1.973178 1.973178 -8.556589\nIn Co S O\n2 1 2 2\ndirect\n0.250000 0.750000 0.500000 In\n0.750000 0.250000 0.500000 In\n0.000000 0.000000 0.000000 Co\n0.865470 0.865470 0.000000 S\n0.134530 0.134530 0.000000 S\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n","nsites":7,"nelements":4,"elements":["In","Co","S","O"],"chemical_system":"Co-In-O-S","density":4.793754927731738,"density_atomic":0.05252969116099601,"volume":133.25796983169002,"volume_molar":11.46426073883244,"formula_full":"In2 Co1 S2 O2","formula_reduced":"In2Co(SO)2","formula_anonymous":"AB2C2D2","energy":-31.69171878,"energy_per_atom":-4.527388397142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.67371878,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.7186825,"is_theoretical":true,"updated_at":"2021-11-28T01:36:08.331000Z","spacegroup":139},{"id":"mp-776601","created_at":"2022-09-04T14:43:08.293926Z","structure_string":"Li12 Fe4 B32 O60\n1.0\n11.464823 0.000000 0.000000\n0.000000 9.243059 0.000000\n0.000000 0.188647 11.993030\nLi Fe B O\n12 4 32 60\ndirect\n0.079653 0.073091 0.577422 Li\n0.659773 0.110911 0.552279 Li\n0.420347 0.073091 0.077422 Li\n0.840227 0.110911 0.052279 Li\n0.167207 0.482501 0.717469 Li\n0.332793 0.482501 0.217469 Li\n0.667207 0.517499 0.782531 Li\n0.832793 0.517499 0.282531 Li\n0.159773 0.889089 0.947721 Li\n0.579653 0.926909 0.922578 Li\n0.340227 0.889089 0.447721 Li\n0.920347 0.926909 0.422578 Li\n0.161473 0.245805 0.969225 Fe\n0.338527 0.245805 0.469225 Fe\n0.661473 0.754195 0.530775 Fe\n0.838527 0.754195 0.030775 Fe\n0.339409 0.101081 0.876849 B\n0.160591 0.101081 0.376849 B\n0.747242 0.135746 0.787204 B\n0.752758 0.135746 0.287204 B\n0.538577 0.175467 0.816240 B\n0.961423 0.175467 0.316240 B\n0.940852 0.194624 0.856942 B\n0.368086 0.220461 0.698413 B\n0.559148 0.194624 0.356942 B\n0.131914 0.220461 0.198413 B\n0.885087 0.277791 0.670619 B\n0.614913 0.277791 0.170619 B\n0.599430 0.346592 0.971485 B\n0.900570 0.346592 0.471485 B\n0.290831 0.502989 0.901716 B\n0.209169 0.502989 0.401716 B\n0.790831 0.497011 0.598284 B\n0.709169 0.497011 0.098284 B\n0.099430 0.653408 0.528515 B\n0.400570 0.653408 0.028515 B\n0.385087 0.722209 0.829381 B\n0.114913 0.722209 0.329381 B\n0.868086 0.779539 0.801587 B\n0.440852 0.805376 0.643058 B\n0.631914 0.779539 0.301587 B\n0.059148 0.805376 0.143058 B\n0.038577 0.824533 0.683760 B\n0.461423 0.824533 0.183760 B\n0.247242 0.864254 0.712796 B\n0.252758 0.864254 0.212796 B\n0.839409 0.898919 0.623151 B\n0.660591 0.898919 0.123151 B\n0.457784 0.094965 0.894430 O\n0.264484 0.076350 0.964514 O\n0.639520 0.078577 0.809183 O\n0.042216 0.094965 0.394430 O\n0.235516 0.076350 0.464514 O\n0.860480 0.078577 0.309183 O\n0.823378 0.155334 0.876781 O\n0.294413 0.152400 0.776722 O\n0.676622 0.155334 0.376781 O\n0.205587 0.152400 0.276722 O\n0.009790 0.175543 0.947951 O\n0.490210 0.175543 0.447951 O\n0.781148 0.175439 0.681055 O\n0.486399 0.205534 0.707573 O\n0.718852 0.175439 0.181055 O\n0.013601 0.205534 0.207573 O\n0.314205 0.298328 0.616115 O\n0.936557 0.260717 0.559407 O\n0.185795 0.298328 0.116115 O\n0.974960 0.244263 0.754152 O\n0.563443 0.260717 0.059407 O\n0.525040 0.244263 0.254152 O\n0.575603 0.320059 0.861992 O\n0.924397 0.320059 0.361992 O\n0.202436 0.408395 0.880156 O\n0.297564 0.408395 0.380156 O\n0.835965 0.422917 0.688160 O\n0.667980 0.470531 0.989973 O\n0.664035 0.422917 0.188160 O\n0.832020 0.470531 0.489973 O\n0.167980 0.529469 0.510027 O\n0.335965 0.577083 0.811840 O\n0.332020 0.529469 0.010027 O\n0.164035 0.577083 0.311840 O\n0.702436 0.591605 0.619844 O\n0.797564 0.591605 0.119844 O\n0.075603 0.679941 0.638008 O\n0.424397 0.679941 0.138008 O\n0.474960 0.755737 0.745848 O\n0.436557 0.739283 0.940593 O\n0.025040 0.755737 0.245848 O\n0.814205 0.701672 0.883885 O\n0.063443 0.739283 0.440593 O\n0.685795 0.701672 0.383885 O\n0.986399 0.794466 0.792427 O\n0.281148 0.824561 0.818945 O\n0.513601 0.794466 0.292427 O\n0.218852 0.824561 0.318945 O\n0.509790 0.824457 0.552049 O\n0.990210 0.824457 0.052049 O\n0.794413 0.847600 0.723278 O\n0.323378 0.844666 0.623219 O\n0.705587 0.847600 0.223278 O\n0.176622 0.844666 0.123219 O\n0.139520 0.921423 0.690817 O\n0.764484 0.923650 0.535486 O\n0.957784 0.905035 0.605570 O\n0.360480 0.921423 0.190817 O\n0.735516 0.923650 0.035486 O\n0.542216 0.905035 0.105570 O\n","nsites":108,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":2.1069805261276917,"density_atomic":0.08497902735360228,"volume":1270.9018138158515,"volume_molar":7.0866200138318245,"formula_full":"Li12 Fe4 B32 O60","formula_reduced":"Li3FeB8O15","formula_anonymous":"AB3C8D15","energy":-853.8366648800001,"energy_per_atom":-7.9058950451851855,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-803.59266488,"band_gap":3.1956999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.993545,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.259000Z","spacegroup":14},{"id":"mp-1519645","created_at":"2022-09-04T14:43:07.560988Z","structure_string":"Ba1 Ca1 Zr1 Sn1 O6\n1.0\n-0.000000 -4.168298 -4.168298\n4.168298 0.000000 -4.168298\n4.168298 -4.168298 0.000000\nBa Ca Zr Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 0.000000 Sn\n0.751659 0.248341 0.248341 O\n0.248341 0.751659 0.751659 O\n0.751659 0.248341 0.751659 O\n0.248341 0.751659 0.248341 O\n0.751659 0.751659 0.248341 O\n0.248341 0.248341 0.751659 O\n","nsites":10,"nelements":5,"elements":["Ba","Ca","Zr","Sn","O"],"chemical_system":"Ba-Ca-O-Sn-Zr","density":5.5410417996528345,"density_atomic":0.06903887794290399,"volume":144.84592302137534,"volume_molar":8.722825369468469,"formula_full":"Ba1 Ca1 Zr1 Sn1 O6","formula_reduced":"BaCaZrSnO6","formula_anonymous":"ABCDE6","energy":-76.81798447,"energy_per_atom":-7.681798447,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.69598447,"band_gap":3.7375,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.062000Z","spacegroup":216},{"id":"mp-1219707","created_at":"2022-09-04T14:43:08.297089Z","structure_string":"Pr1 Nd1 Al4\n1.0\n0.000000 4.038843 4.038843\n4.038843 0.000000 4.038843\n4.038843 4.038843 0.000000\nPr Nd Al\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250000 0.250000 0.250000 Nd\n0.624927 0.624927 0.125220 Al\n0.624927 0.125220 0.624927 Al\n0.125220 0.624927 0.624927 Al\n0.624927 0.624927 0.624927 Al\n","nsites":6,"nelements":3,"elements":["Pr","Nd","Al"],"chemical_system":"Al-Nd-Pr","density":4.953640661115904,"density_atomic":0.045535524209958586,"volume":131.76525589855413,"volume_molar":13.225148638308555,"formula_full":"Pr1 Nd1 Al4","formula_reduced":"PrNdAl4","formula_anonymous":"ABC4","energy":-27.50606115,"energy_per_atom":-4.584343525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.50606115,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015932,"is_theoretical":true,"updated_at":"2021-11-28T01:36:04.296000Z","spacegroup":216},{"id":"mp-1216108","created_at":"2022-09-04T14:43:09.022101Z","structure_string":"Y4 Cd1 S7\n1.0\n1.924958 6.375923 0.000000\n-1.924958 6.375923 0.000000\n0.000000 3.003525 11.225523\nY Cd S\n4 1 7\ndirect\n0.693188 0.693188 0.199778 Y\n0.307133 0.307133 0.803884 Y\n0.000080 0.000080 0.002509 Y\n0.114949 0.114949 0.571334 Y\n0.884739 0.884739 0.420900 Cd\n0.741582 0.741582 0.647098 S\n0.258267 0.258267 0.351280 S\n0.340618 0.340618 0.049780 S\n0.659739 0.659739 0.948330 S\n0.038805 0.038805 0.217804 S\n0.960728 0.960728 0.785373 S\n0.500174 0.500174 0.501930 S\n","nsites":12,"nelements":3,"elements":["Y","Cd","S"],"chemical_system":"Cd-S-Y","density":4.1731243502219995,"density_atomic":0.04354921635716914,"volume":275.5503084506029,"volume_molar":13.828356199591235,"formula_full":"Y4 Cd1 S7","formula_reduced":"Y4CdS7","formula_anonymous":"AB4C7","energy":-80.70529318,"energy_per_atom":-6.7254410983333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.18429318,"band_gap":1.1864999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:36:09.545000Z","spacegroup":8},{"id":"mp-1213402","created_at":"2022-09-04T14:43:08.251817Z","structure_string":"Fe6 B6 P12 O66\n1.0\n4.647033 -8.048897 0.000000\n4.647033 8.048897 0.000000\n0.000000 0.000000 15.536125\nFe B P O\n6 6 12 66\ndirect\n0.439983 0.879966 0.250000 Fe\n0.120034 0.560017 0.583333 Fe\n0.560017 0.120034 0.750000 Fe\n0.879966 0.439983 0.083333 Fe\n0.439983 0.560017 0.916667 Fe\n0.560017 0.439983 0.416667 Fe\n0.152549 0.305099 0.250000 B\n0.694901 0.847451 0.583333 B\n0.847451 0.694901 0.750000 B\n0.305099 0.152549 0.083333 B\n0.152549 0.847451 0.916667 B\n0.847451 0.152549 0.416667 B\n0.209238 0.385591 0.079800 P\n0.614409 0.823647 0.413133 P\n0.790762 0.614409 0.579800 P\n0.385591 0.209238 0.253533 P\n0.176353 0.790762 0.746467 P\n0.385591 0.176353 0.913133 P\n0.823647 0.614409 0.920200 P\n0.614409 0.790762 0.753533 P\n0.823647 0.209238 0.246467 P\n0.176353 0.385591 0.420200 P\n0.790762 0.176353 0.586867 P\n0.209238 0.823647 0.086867 P\n0.056695 0.389988 0.048889 O\n0.610012 0.666707 0.382223 O\n0.943305 0.610012 0.548889 O\n0.389988 0.056695 0.284444 O\n0.333293 0.943305 0.715556 O\n0.389988 0.333293 0.882223 O\n0.666707 0.610012 0.951111 O\n0.610012 0.943305 0.784444 O\n0.666707 0.056695 0.215556 O\n0.333293 0.389988 0.451111 O\n0.943305 0.333293 0.617777 O\n0.056695 0.666707 0.117777 O\n0.189219 0.211980 0.059838 O\n0.788020 0.977240 0.393171 O\n0.810781 0.788020 0.559838 O\n0.211980 0.189219 0.273495 O\n0.022760 0.810781 0.726505 O\n0.211980 0.022760 0.893171 O\n0.977240 0.788020 0.940162 O\n0.788020 0.810781 0.773495 O\n0.977240 0.189219 0.226505 O\n0.022760 0.211980 0.440162 O\n0.810781 0.022760 0.606829 O\n0.189219 0.977240 0.106829 O\n0.418184 0.177628 0.011249 O\n0.822372 0.240556 0.344583 O\n0.581816 0.822372 0.511249 O\n0.177628 0.418184 0.322084 O\n0.759444 0.581816 0.677916 O\n0.177628 0.759444 0.844583 O\n0.240556 0.822372 0.988751 O\n0.822372 0.581816 0.822084 O\n0.240556 0.418184 0.177916 O\n0.759444 0.177628 0.488751 O\n0.581816 0.759444 0.655417 O\n0.418184 0.240556 0.155417 O\n0.376251 0.518656 0.037082 O\n0.481344 0.857595 0.370415 O\n0.623749 0.481344 0.537082 O\n0.518656 0.376251 0.296252 O\n0.142405 0.623749 0.703748 O\n0.518656 0.142405 0.870415 O\n0.857595 0.481344 0.962918 O\n0.481344 0.623749 0.796252 O\n0.857595 0.376251 0.203748 O\n0.142405 0.518656 0.462918 O\n0.623749 0.142405 0.629585 O\n0.376251 0.857595 0.129585 O\n0.505371 0.237963 0.439880 O\n0.762037 0.267408 0.773213 O\n0.494629 0.762037 0.939880 O\n0.237963 0.505371 0.893454 O\n0.732592 0.494629 0.106546 O\n0.237963 0.732592 0.273213 O\n0.267408 0.762037 0.560120 O\n0.762037 0.494629 0.393454 O\n0.267408 0.505371 0.606546 O\n0.732592 0.237963 0.060120 O\n0.494629 0.732592 0.226787 O\n0.505371 0.267408 0.726787 O\n0.911771 0.823542 0.250000 O\n0.176458 0.088229 0.583333 O\n0.088229 0.176458 0.750000 O\n0.823542 0.911771 0.083333 O\n0.911771 0.088229 0.916667 O\n0.088229 0.911771 0.416667 O\n","nsites":90,"nelements":4,"elements":["Fe","B","P","O"],"chemical_system":"B-Fe-O-P","density":2.6112053821601924,"density_atomic":0.07743863347454148,"volume":1162.2105913011515,"volume_molar":7.776661970642629,"formula_full":"Fe6 B6 P12 O66","formula_reduced":"FeBP2O11","formula_anonymous":"ABC2D11","energy":-626.194916,"energy_per_atom":-6.957721288888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-567.316916,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":41.8274619,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.358000Z","spacegroup":178},{"id":"mp-1075104","created_at":"2022-09-04T14:43:09.089691Z","structure_string":"Mg6 Si8\n1.0\n5.323064 0.000000 0.000000\n-1.070770 6.725873 0.000000\n-2.503669 -2.322629 7.146915\nMg Si\n6 8\ndirect\n0.631241 0.928976 0.405344 Mg\n0.068223 0.679722 0.476462 Mg\n0.342076 0.710206 0.898885 Mg\n0.142641 0.176869 0.891004 Mg\n0.472564 0.390189 0.428725 Mg\n0.028616 0.924930 0.151504 Mg\n0.796223 0.452822 0.867875 Si\n0.590789 0.065725 0.809282 Si\n0.195593 0.560381 0.160726 Si\n0.634612 0.505196 0.139558 Si\n0.763316 0.759049 0.734163 Si\n0.999786 0.360998 0.607438 Si\n0.223841 0.090930 0.544170 Si\n0.610538 0.140396 0.131496 Si\n","nsites":14,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.404499841210115,"density_atomic":0.05471407587469469,"volume":255.87565496057317,"volume_molar":11.006565794498313,"formula_full":"Mg6 Si8","formula_reduced":"Mg3Si4","formula_anonymous":"A3B4","energy":-51.35949766,"energy_per_atom":-3.668535547142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.92749766,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0086039,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.471000Z","spacegroup":1}]}