BeFe
Alexandria ALEXAlex-ID: agm005445027 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_1976_spg12
Be2Fe Fe
2023-03-19 05:47:59.150271
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005445027).
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 agm005445027
data_agm005445027
_cell_length_a 4.27637
_cell_length_b 4.27637
_cell_length_c 5.03103
_cell_angle_alpha 73.33696
_cell_angle_beta 73.33696
_cell_angle_gamma 40.26350
_cell_volume 56.62185
_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
Be1 Be 0.97905 0.97905 0.04863 1.00000
Be2 Be 0.64087 0.64087 0.73306 1.00000
Be3 Be 0.62841 0.62841 0.21554 1.00000
Fe1 Fe 0.30414 0.30414 0.37794 1.00000
Fe2 Fe 0.98124 0.98124 0.55464 1.00000
Fe3 Fe 0.29962 0.29962 0.90353 1.00000
