Mn3FeOs
Alexandria ALEXAlex-ID: agm005759918 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_2808_spg166
Mn24Os5 Fe MnOs
2023-07-04 17:36:29.828338
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759918).
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 agm005759918
data_agm005759918
_cell_length_a 4.99250
_cell_length_b 4.99250
_cell_length_c 4.68678
_cell_angle_alpha 57.81771
_cell_angle_beta 57.81772
_cell_angle_gamma 60.00000
_cell_volume 79.77250
_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 0.47499 0.97501 0.57499 1.00000
Mn2 Mn 0.97501 0.47499 0.57499 1.00000
Mn3 Mn 0.97501 0.97501 0.57499 1.00000
Fe1 Fe 0.97499 0.97499 0.07502 1.00000
Os1 Os 0.47500 0.47500 0.57500 1.00000
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