BeSb
Alexandria ALEXAlex-ID: agm004450271 · Space group: P4/m (#83)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_2154_spg83
Sb Be
2022-05-29 13:53:42.628793
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004450271).
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 agm004450271
data_agm004450271
_cell_length_a 10.87216
_cell_length_b 10.87216
_cell_length_c 4.06353
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 480.32517
_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 0.73853 0.63426 0.50000 1.00000
Be2 Be 0.26147 0.36574 0.50000 1.00000
Be3 Be 0.36574 0.73853 0.50000 1.00000
Be4 Be 0.63426 0.26147 0.50000 1.00000
Be5 Be 0.92933 0.41949 0.00000 1.00000
Be6 Be 0.07067 0.58051 0.00000 1.00000
Be7 Be 0.58051 0.92933 0.00000 1.00000
Be8 Be 0.41949 0.07067 0.00000 1.00000
Sb1 Sb 0.80423 0.40365 0.50000 1.00000
Sb2 Sb 0.19577 0.59635 0.50000 1.00000
Sb3 Sb 0.59635 0.80423 0.50000 1.00000
Sb4 Sb 0.40365 0.19577 0.50000 1.00000
Sb5 Sb 0.85822 0.64709 0.00000 1.00000
Sb6 Sb 0.14178 0.35291 0.00000 1.00000
Sb7 Sb 0.35291 0.85822 0.00000 1.00000
Sb8 Sb 0.64709 0.14178 0.00000 1.00000
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