BeSb2
Alexandria ALEXAlex-ID: agm005455961 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_107_spg8
Sb Be
2023-03-19 05:46:18.487619
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005455961).
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 agm005455961
data_agm005455961
_cell_length_a 6.47185
_cell_length_b 6.47185
_cell_length_c 6.43894
_cell_angle_alpha 73.52230
_cell_angle_beta 73.52230
_cell_angle_gamma 33.07425
_cell_volume 140.58897
_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 0.53761 0.53761 0.32890 1.00000
Be2 Be 0.46239 0.46239 0.67110 1.00000
Sb1 Sb 0.13382 0.13382 0.06631 1.00000
Sb2 Sb 0.86510 0.86510 0.46224 1.00000
Sb3 Sb 0.13490 0.13490 0.53776 1.00000
Sb4 Sb 0.86618 0.86618 0.93370 1.00000
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