Be3Cd4
Alexandria ALEXAlex-ID: agm005487692 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_132_spg139
Cd Be
2023-03-19 09:55:28.290153
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005487692).
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 agm005487692
data_agm005487692
_cell_length_a 13.59217
_cell_length_b 13.59217
_cell_length_c 13.59217
_cell_angle_alpha 167.68371
_cell_angle_beta 167.68371
_cell_angle_gamma 17.45173
_cell_volume 114.24892
_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 0.00000 0.00000 0.00000 1.00000
Be2 Be 0.73170 0.73170 0.00000 1.00000
Be3 Be 0.26830 0.26830 0.00000 1.00000
Cd1 Cd 0.83897 0.83897 0.00000 1.00000
Cd2 Cd 0.16103 0.16103 0.00000 1.00000
Cd3 Cd 0.56466 0.56466 0.00000 1.00000
Cd4 Cd 0.43534 0.43534 0.00000 1.00000
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