BeC2
Alexandria ALEXAlex-ID: agm005508725 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_1987_spg141
Be2C C
2023-03-23 08:43:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508725).
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 agm005508725
data_agm005508725
_cell_length_a 13.56980
_cell_length_b 13.56980
_cell_length_c 13.56980
_cell_angle_alpha 169.57972
_cell_angle_beta 169.57972
_cell_angle_gamma 14.75701
_cell_volume 81.73825
_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 0.94239 0.94239 1.00000 1.00000
Be2 Be 0.05761 0.05761 0.00000 1.00000
Be3 Be 0.19239 0.69239 0.50000 1.00000
Be4 Be 0.30761 0.80761 0.50000 1.00000
C1 C 0.75582 0.75582 0.00000 1.00000
C2 C 0.24418 0.24418 1.00000 1.00000
C3 C 0.00582 0.50582 0.50000 1.00000
C4 C 0.49418 0.99418 0.50000 1.00000
C5 C 0.63947 0.63947 0.00000 1.00000
C6 C 0.36053 0.36053 1.00000 1.00000
C7 C 0.88947 0.38947 0.50000 1.00000
C8 C 0.61053 0.11053 0.50000 1.00000
Get direct link