CaBe2
Alexandria ALEXAlex-ID: agm005449373 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_2826_spg12
CaBe13 Ca
2023-03-18 06:54:51.558188
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005449373).
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 agm005449373
data_agm005449373
_cell_length_a 5.64109
_cell_length_b 5.64109
_cell_length_c 5.55887
_cell_angle_alpha 67.95871
_cell_angle_beta 67.95871
_cell_angle_gamma 39.66557
_cell_volume 103.53815
_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
Ca1 Ca 0.89791 0.89791 0.30705 1.00000
Ca2 Ca 0.10209 0.10209 0.69295 1.00000
Be1 Be 0.38980 0.38980 0.71785 1.00000
Be2 Be 0.77714 0.77714 0.90875 1.00000
Be3 Be 0.61020 0.61020 0.28215 1.00000
Be4 Be 0.22286 0.22286 0.09125 1.00000
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