BeAl2Fe
Alexandria ALEXAlex-ID: agm005803856 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_42_spg194
Be4AlFe Al13Fe4 Al2Fe
2023-07-14 15:16:57.847755
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803856).
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 agm005803856
data_agm005803856
_cell_length_a 3.95911
_cell_length_b 3.95901
_cell_length_c 7.57087
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00082
_cell_volume 102.76766
_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 0.66665 0.33330 0.25000 1.00000
Be2 Be 0.33335 0.66670 0.75000 1.00000
Al1 Al 0.66668 0.33336 0.58524 1.00000
Al2 Al 0.33332 0.66664 0.08524 1.00000
Al3 Al 0.33332 0.66664 0.41476 1.00000
Al4 Al 0.66668 0.33336 0.91476 1.00000
Fe1 Fe 0.99999 0.99998 0.25000 1.00000
Fe2 Fe 0.00001 0.00002 0.75000 1.00000
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