Be3Br2
Alexandria ALEXAlex-ID: agm005506744 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_568_spg43
BeBr2 Be
2023-03-19 16:50:43.917753
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506744).
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
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# CIF generated by HEAS from Alexandria entry agm005506744
data_agm005506744
_cell_length_a 8.83146
_cell_length_b 8.29681
_cell_length_c 5.08601
_cell_angle_alpha 78.58019
_cell_angle_beta 67.05255
_cell_angle_gamma 34.36726
_cell_volume 188.14378
_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 0.44585 0.31474 0.31523 1.00000
Be2 Be 0.92418 0.31523 0.31474 1.00000
Be3 Be 0.93526 0.80415 0.32582 1.00000
Be4 Be 0.93477 0.32582 0.80415 1.00000
Be5 Be 0.89559 0.10441 0.10441 1.00000
Be6 Be 0.14559 0.35441 0.35441 1.00000
Br1 Br 0.57788 0.50500 0.76062 1.00000
Br2 Br 0.15650 0.76062 0.50500 1.00000
Br3 Br 0.74500 0.67212 0.09350 1.00000
Br4 Br 0.48938 0.09350 0.67212 1.00000
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