Li5Mg2Fe2RuO10
Alexandria ALEXAlex-ID: agm010772209 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5E10_2_spg1
Li4FeRuO6 LiFeO2 MgO
2024-05-02 23:07:21.780813
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010772209).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm010772209
data_agm010772209
_cell_length_a 5.18403
_cell_length_b 6.00768
_cell_length_c 6.71070
_cell_angle_alpha 102.96247
_cell_angle_beta 97.28381
_cell_angle_gamma 106.81724
_cell_volume 190.80106
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li1 Li 0.22098 0.89508 0.39948 1.00000
Li2 Li 0.99834 0.49752 0.99189 1.00000
Li3 Li 0.79000 0.10239 0.60367 1.00000
Li4 Li 0.61832 0.70644 0.21855 1.00000
Li5 Li 0.36977 0.29892 0.78638 1.00000
Mg1 Mg 0.20318 0.40759 0.40644 1.00000
Mg2 Mg 0.39709 0.79295 0.79347 1.00000
Fe1 Fe 0.60371 0.20827 0.20616 1.00000
Fe2 Fe 0.79666 0.59230 0.59326 1.00000
Ru1 Ru 0.99942 0.99828 0.99959 1.00000
O1 O 0.50512 0.25754 0.49047 1.00000
O2 O 0.29483 0.86996 0.09458 1.00000
O3 O 0.09184 0.46214 0.69381 1.00000
O4 O 0.90021 0.05387 0.27947 1.00000
O5 O 0.71675 0.67151 0.90069 1.00000
O6 O 0.89092 0.53629 0.30476 1.00000
O7 O 0.71031 0.13759 0.91556 1.00000
O8 O 0.50995 0.74038 0.50777 1.00000
O9 O 0.29046 0.32516 0.09644 1.00000
O10 O 0.09214 0.94581 0.71757 1.00000
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