BeBSb
Alexandria ALEXAlex-ID: agm002036070 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_3702_spg8
Be BeB2 Sb
2021-09-28 19:50:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002036070).
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 agm002036070
data_agm002036070
_cell_length_a 10.53370
_cell_length_b 3.19338
_cell_length_c 5.44124
_cell_angle_alpha 90.00000
_cell_angle_beta 98.55647
_cell_angle_gamma 90.00000
_cell_volume 180.99555
_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
Sb1 Sb 0.83918 0.00000 0.40718 1.00000
Sb2 Sb 0.83918 0.50000 0.90718 1.00000
Sb3 Sb 0.48112 0.00000 0.92406 1.00000
Sb4 Sb 0.48112 0.50000 0.42406 1.00000
B1 B 0.25350 0.00000 0.85841 1.00000
B2 B 0.25350 0.50000 0.35841 1.00000
B3 B 0.20522 0.00000 0.17543 1.00000
B4 B 0.20522 0.50000 0.67543 1.00000
Be1 Be 0.16394 0.00000 0.49845 1.00000
Be2 Be 0.16394 0.50000 0.99845 1.00000
Be3 Be 0.01696 0.00000 0.12024 1.00000
Be4 Be 0.01696 0.50000 0.62024 1.00000
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