FeBr2
Alexandria ALEXAlex-ID: agm073219086 · Space group: P3_121 (#152)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_743_spg5
FeBr2
2025-01-25 14:44:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073219086).
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 agm073219086
data_agm073219086
_cell_length_a 6.82264
_cell_length_b 6.82264
_cell_length_c 7.84125
_cell_angle_alpha 89.79770
_cell_angle_beta 90.20230
_cell_angle_gamma 120.09908
_cell_volume 315.77895
_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 0.92692 0.92692 0.00000 1.00000
Fe2 Fe 0.99925 0.07171 0.66652 1.00000
Fe3 Fe 0.07171 0.99925 0.33348 1.00000
Br1 Br 0.69581 0.70318 0.24354 1.00000
Br2 Br 0.00796 0.30291 0.90944 1.00000
Br3 Br 0.29375 0.99039 0.57804 1.00000
Br4 Br 0.30291 0.00796 0.09056 1.00000
Br5 Br 0.70318 0.69581 0.75646 1.00000
Br6 Br 0.99039 0.29375 0.42196 1.00000
Get direct link