MnFe9O10
Alexandria ALEXAlex-ID: agm008316072 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB9C10_10_spg2
MnFe10O11 MnO
2024-11-08 03:39:28.412003
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008316072).
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 agm008316072
data_agm008316072
_cell_length_a 5.40684
_cell_length_b 6.21740
_cell_length_c 7.00683
_cell_angle_alpha 76.98243
_cell_angle_beta 74.32790
_cell_angle_gamma 72.82725
_cell_volume 213.95096
_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
Mn1 Mn 0.00000 0.50000 0.00000 1.00000
Fe1 Fe 0.40232 0.09553 0.19946 1.00000
Fe2 Fe 0.39717 0.59523 0.20251 1.00000
Fe3 Fe 0.79400 0.19144 0.40237 1.00000
Fe4 Fe 0.20321 0.30800 0.59819 1.00000
Fe5 Fe 0.79679 0.69200 0.40181 1.00000
Fe6 Fe 0.20600 0.80856 0.59763 1.00000
Fe7 Fe 0.60283 0.40477 0.79749 1.00000
Fe8 Fe 0.59768 0.90447 0.80054 1.00000
Fe9 Fe 0.00000 0.00000 0.00000 1.00000
O1 O 0.69074 0.30781 0.10392 1.00000
O2 O 0.09665 0.37632 0.30756 1.00000
O3 O 0.69228 0.80492 0.10676 1.00000
O4 O 0.09817 0.88638 0.29095 1.00000
O5 O 0.90183 0.11362 0.70905 1.00000
O6 O 0.50000 0.50000 0.50000 1.00000
O7 O 0.30772 0.19508 0.89324 1.00000
O8 O 0.90335 0.62368 0.69244 1.00000
O9 O 0.50000 0.00000 0.50000 1.00000
O10 O 0.30926 0.69219 0.89608 1.00000
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