Be2Cd3
Alexandria ALEXAlex-ID: agm005508288 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_497_spg43
Cd Be
2023-03-19 17:03:54.074563
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508288).
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 agm005508288
data_agm005508288
_cell_length_a 11.93464
_cell_length_b 10.48339
_cell_length_c 6.03431
_cell_angle_alpha 88.24325
_cell_angle_beta 61.40047
_cell_angle_gamma 30.35628
_cell_volume 169.91561
_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 0.70873 0.34366 0.67120 1.00000
Be2 Be 0.27641 0.67120 0.34366 1.00000
Be3 Be 0.90634 0.54127 0.97359 1.00000
Be4 Be 0.57880 0.97359 0.54127 1.00000
Cd1 Cd 0.44551 0.77107 0.19286 1.00000
Cd2 Cd 0.59056 0.19286 0.77107 1.00000
Cd3 Cd 0.47893 0.80449 0.65944 1.00000
Cd4 Cd 0.05714 0.65944 0.80449 1.00000
Cd5 Cd 0.97878 0.02122 0.02122 1.00000
Cd6 Cd 0.22878 0.27122 0.27122 1.00000
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