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0.000010\n-1.525074 5.131444 -0.000351\n0.000051 -0.001038 15.420757\nMg Mn O\n2 8 12\ndirect\n0.659726 0.319983 0.749998 Mg\n0.340275 0.680019 0.250002 Mg\n0.863773 0.727642 0.454697 Mn\n0.136211 0.272355 0.545301 Mn\n0.404285 0.808657 0.642010 Mn\n0.595732 0.191347 0.357987 Mn\n0.863776 0.727613 0.045351 Mn\n0.136219 0.272388 0.954650 Mn\n0.595713 0.191381 0.141947 Mn\n0.404293 0.808620 0.858057 Mn\n0.499970 0.999999 0.499999 O\n0.499986 0.000000 0.000001 O\n0.293379 0.586666 0.750047 O\n0.706619 0.413334 0.249954 O\n0.055068 0.110518 0.841217 O\n0.944935 0.889482 0.158784 O\n0.944926 0.889470 0.341221 O\n0.055076 0.110528 0.658777 O\n0.779751 0.559613 0.927989 O\n0.220259 0.440388 0.072012 O\n0.220277 0.440408 0.427976 O\n0.779741 0.559587 0.572023 O\n","nsites":22,"nelements":3,"elements":["Mg","Mn","O"],"chemical_system":"Mg-Mn-O","density":4.69390351442817,"density_atomic":0.09143877401986207,"volume":240.598151449638,"volume_molar":6.585981521025083,"formula_full":"Mg2 Mn8 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0.949401 O\n0.374951 0.374951 0.350013 O\n0.374945 0.374945 0.900539 O\n0.947731 0.497396 0.274592 O\n0.948926 0.499521 0.774515 O\n0.099443 0.549058 0.675567 O\n0.100802 0.550340 0.174396 O\n0.672703 0.672703 0.095504 O\n0.673972 0.673972 0.547855 O\n0.773529 0.773529 0.950843 O\n0.773519 0.773519 0.500981 O\n0.352738 0.884086 0.868224 O\n0.350976 0.900187 0.382847 O\n0.497396 0.947731 0.274592 O\n0.499521 0.948926 0.774515 O\n0.073887 0.073887 0.704329 O\n0.077179 0.077179 0.145666 O\n0.172779 0.172779 0.550273 O\n0.170851 0.170851 0.095414 O\n0.754352 0.296181 0.467290 O\n0.763639 0.301217 0.982747 O\n0.884086 0.352738 0.868224 O\n0.900187 0.350976 0.382847 O\n0.576467 0.576467 0.141232 O\n0.572852 0.572852 0.708775 O\n0.296181 0.754352 0.467290 O\n0.301217 0.763639 0.982747 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Mg\n0.125340 0.125340 0.624613 Mg\n0.874861 0.874861 0.375146 Mg\n0.999274 0.999274 0.499810 Mg\n0.625227 0.625227 0.125380 Mg\n0.750404 0.750404 0.250623 Mg\n0.375746 0.873457 0.874975 Mn\n0.248854 0.248854 0.749375 Mn\n0.873457 0.375746 0.874975 Mn\n0.351851 0.351851 0.465627 Mn\n0.127370 0.626365 0.624499 Mn\n0.899477 0.899477 0.780205 Mn\n0.101154 0.101154 0.218466 Mn\n0.626365 0.127370 0.624499 Mn\n0.874841 0.375005 0.375221 Mn\n0.648351 0.648351 0.532370 Mn\n0.375005 0.874841 0.375221 Mn\n0.121569 0.623808 0.125625 Mn\n0.623808 0.121569 0.125625 Mn\n0.397982 0.397982 0.284073 Mn\n0.501876 0.501876 0.999210 Mn\n0.149791 0.149791 0.031098 Mn\n0.678685 0.226858 0.936221 O\n0.567270 0.567270 0.821848 O\n0.226858 0.678685 0.936221 O\n0.681834 0.681834 0.938540 O\n0.070108 0.070108 0.811769 O\n0.431419 0.978795 0.685818 O\n0.518664 0.072729 0.813693 O\n0.316620 0.316620 0.571618 O\n0.978795 0.431419 0.685818 O\n0.182687 0.182687 0.926311 O\n0.429464 0.429464 0.683975 O\n0.072729 0.518664 0.813693 O\n0.185654 0.724889 0.431997 O\n0.819625 0.819625 0.569714 O\n0.276840 0.813929 0.568913 O\n0.067362 0.067362 0.322081 O\n0.724889 0.185654 0.431997 O\n0.933298 0.933298 0.677553 O\n0.176647 0.176647 0.430901 O\n0.813929 0.276840 0.568913 O\n0.572884 0.572884 0.319537 O\n0.935390 0.472085 0.181241 O\n0.025152 0.563702 0.318462 O\n0.816911 0.816911 0.071873 O\n0.472085 0.935390 0.181241 O\n0.682462 0.682462 0.428552 O\n0.930315 0.930315 0.181648 O\n0.563702 0.025152 0.318462 O\n0.324544 0.324544 0.064707 O\n0.766827 0.320978 0.064012 O\n0.432364 0.432364 0.177886 O\n0.320978 0.766827 0.064012 O\n","nsites":56,"nelements":3,"elements":["Mg","Mn","O"],"chemical_system":"Mg-Mn-O","density":4.212262834750176,"density_atomic":0.08959988484344046,"volume":625.0008032694443,"volume_molar":6.721147879288681,"formula_full":"Mg8 Mn16 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0.296923 0.747185 O\n0.747185 0.747185 0.296923 O\n","nsites":13,"nelements":3,"elements":["Mg","Mn","O"],"chemical_system":"Mg-Mn-O","density":4.029780144077712,"density_atomic":0.08479524912120759,"volume":153.31047593736776,"volume_molar":7.1019789698263205,"formula_full":"Mg1 Mn4 O8","formula_reduced":"MgMn4O8","formula_anonymous":"AB4C8","energy":-104.49360773999996,"energy_per_atom":-8.037969826153843,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-92.32560774,"band_gap":0.2036000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9982038,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.584000Z","spacegroup":166}]}