Fe2Co2Re
Alexandria ALEXAlex-ID: agm005406829 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_5_spg139
Fe4Co3 CoRe3 CoRe
2023-03-17 15:04:38.152714
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005406829).
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 agm005406829
data_agm005406829
_cell_length_a 6.02702
_cell_length_b 6.02702
_cell_length_c 6.02702
_cell_angle_alpha 148.27032
_cell_angle_beta 148.27032
_cell_angle_gamma 45.48648
_cell_volume 60.35517
_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
Fe1 Fe 0.25000 0.75000 0.50000 1.00000
Fe2 Fe 0.75000 0.25000 0.50000 1.00000
Co1 Co 0.59877 0.59877 0.00000 1.00000
Co2 Co 0.40123 0.40123 0.00000 1.00000
Re1 Re 0.00000 0.00000 0.00000 1.00000
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