MnFe3Co2
Alexandria ALEXAlex-ID: agm005663108 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_62_spg141
Fe5Co3 MnFe2Co3 Mn
2023-08-22 19:13:23.032881
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663108).
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 agm005663108
data_agm005663108
_cell_length_a 7.58432
_cell_length_b 7.58431
_cell_length_c 7.45842
_cell_angle_alpha 120.55994
_cell_angle_beta 120.55994
_cell_angle_gamma 89.99999
_cell_volume 298.15615
_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 0.32183 0.32183 0.64365 1.00000
Mn2 Mn 0.67817 0.67817 0.35635 1.00000
Mn3 Mn 0.57183 0.07183 0.14365 1.00000
Mn4 Mn 0.92817 0.42817 0.85635 1.00000
Fe1 Fe 0.30294 0.69706 0.00000 1.00000
Fe2 Fe 0.12500 0.87500 0.25000 1.00000
Fe3 Fe 0.12500 0.37500 0.25000 1.00000
Fe4 Fe 0.69706 0.69706 1.00000 1.00000
Fe5 Fe 0.69706 0.30294 1.00000 1.00000
Fe6 Fe 0.94706 0.44706 0.50000 1.00000
Fe7 Fe 0.62500 0.87500 0.75000 1.00000
Fe8 Fe 0.12500 0.87500 0.75000 1.00000
Fe9 Fe 0.55294 0.05294 0.50000 1.00000
Fe10 Fe 0.55294 0.44706 0.50000 1.00000
Fe11 Fe 0.30294 0.30294 0.00000 1.00000
Fe12 Fe 0.94706 0.05294 0.50000 1.00000
Co1 Co 0.90957 0.74061 0.81914 1.00000
Co2 Co 0.34043 0.67147 0.68086 1.00000
Co3 Co 0.25939 0.09043 0.18086 1.00000
Co4 Co 0.32853 0.65957 0.31914 1.00000
Co5 Co 0.92147 0.09043 0.18086 1.00000
Co6 Co 0.99061 0.65957 0.31914 1.00000
Co7 Co 0.34043 0.00939 0.68086 1.00000
Co8 Co 0.90957 0.07853 0.81914 1.00000
