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O\n0.087605 0.093719 0.638655 O\n0.086656 0.604080 0.141838 O\n0.079357 0.598628 0.638077 O\n0.587923 0.102645 0.143014 O\n0.591961 0.094971 0.642232 O\n0.586920 0.603859 0.142218 O\n0.588760 0.600160 0.640360 O\n0.445993 0.397784 0.356962 O\n0.456709 0.401909 0.863814 O\n0.450331 0.890893 0.356534 O\n0.448223 0.901124 0.860004 O\n0.940237 0.401206 0.359989 O\n0.952109 0.396659 0.861530 O\n0.943411 0.895700 0.357187 O\n0.950645 0.898554 0.860797 O\n0.337085 0.291285 0.142172 O\n0.331127 0.291369 0.642865 O\n0.338936 0.784981 0.140090 O\n0.336773 0.790821 0.636649 O\n0.841369 0.287919 0.144114 O\n0.828138 0.288046 0.641749 O\n0.836038 0.788585 0.142669 O\n0.840676 0.786877 0.640297 O\n0.192039 0.210525 0.354497 O\n0.192994 0.212500 0.859617 O\n0.197533 0.709648 0.357083 O\n0.197859 0.720034 0.861062 O\n0.694670 0.210486 0.356994 O\n0.693739 0.207385 0.857676 O\n0.695529 0.710055 0.357256 O\n0.703389 0.719090 0.862879 O\n0.423854 0.069031 0.249177 O\n0.422972 0.062997 0.742023 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0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n","nsites":6,"nelements":3,"elements":["Sm","Ge","Ru"],"chemical_system":"Ge-Ru-Sm","density":10.10479166054502,"density_atomic":0.05396557141283732,"volume":111.18199701991335,"volume_molar":11.159227267196979,"formula_full":"Sm2 Ge1 Ru3","formula_reduced":"Sm2GeRu3","formula_anonymous":"AB2C3","energy":-44.27228326,"energy_per_atom":-7.378713876666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.27228326,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0102898,"is_theoretical":true,"updated_at":"2021-11-28T01:37:06.215000Z","spacegroup":166},{"id":"mp-1210146","created_at":"2022-09-04T14:45:37.237801Z","structure_string":"Nb9 P2 O25\n1.0\n-8.109339 8.109339 1.944767\n8.109339 -8.109339 1.944767\n8.109339 8.109339 -1.944767\nNb P O\n9 2 25\ndirect\n0.000000 0.000000 0.000000 Nb\n0.779870 0.099085 0.878954 Nb\n0.220130 0.900915 0.121046 Nb\n0.099085 0.220130 0.319215 Nb\n0.900915 0.779870 0.680785 Nb\n0.877284 0.315833 0.193117 Nb\n0.122716 0.684167 0.806883 Nb\n0.315833 0.122716 0.438549 Nb\n0.684167 0.877284 0.561451 Nb\n0.750000 0.250000 0.500000 P\n0.250000 0.750000 0.500000 P\n0.646237 0.158673 0.804910 O\n0.353763 0.841327 0.195090 O\n0.158673 0.353763 0.512436 O\n0.841327 0.646237 0.487564 O\n0.749550 0.386960 0.136510 O\n0.250450 0.613040 0.863490 O\n0.386960 0.250450 0.637410 O\n0.613040 0.749550 0.362590 O\n0.821981 0.213425 0.035406 O\n0.178019 0.786575 0.964594 O\n0.213425 0.178019 0.391444 O\n0.786575 0.821981 0.608556 O\n0.916846 0.443368 0.360214 O\n0.083154 0.556632 0.639786 O\n0.443368 0.083154 0.526522 O\n0.556632 0.916846 0.473478 O\n0.500000 0.500000 0.000000 O\n0.883756 0.051628 0.935384 O\n0.116244 0.948372 0.064616 O\n0.051628 0.116244 0.167872 O\n0.948372 0.883756 0.832128 O\n0.985566 0.279276 0.264842 O\n0.014434 0.720724 0.735158 O\n0.279276 0.014434 0.293710 O\n0.720724 0.985566 0.706290 O\n","nsites":36,"nelements":3,"elements":["Nb","P","O"],"chemical_system":"Nb-O-P","density":4.213620355500331,"density_atomic":0.0703726687491047,"volume":511.5622391464016,"volume_molar":8.557499476778926,"formula_full":"Nb9 P2 O25","formula_reduced":"Nb9P2O25","formula_anonymous":"A2B9C25","energy":-321.78168954,"energy_per_atom":-8.938380265,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-304.60668954,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9507286,"is_theoretical":true,"updated_at":"2021-11-28T01:37:08.839000Z","spacegroup":87}]}