BeCu4Si
Alexandria ALEXAlex-ID: agm005754965 · Space group: Cccm (#66)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1172_spg15
Cu15Si4 Be2Cu Si
2023-08-04 23:51:35.172598
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754965).
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 agm005754965
data_agm005754965
_cell_length_a 4.36324
_cell_length_b 4.96094
_cell_length_c 6.94640
_cell_angle_alpha 110.92141
_cell_angle_beta 90.00519
_cell_angle_gamma 90.00006
_cell_volume 140.44728
_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 0.75000 0.50010 1.00000 1.00000
Be2 Be 0.25000 0.49990 0.00000 1.00000
Cu1 Cu 0.49995 0.48293 0.30141 1.00000
Cu2 Cu 0.49985 0.92148 0.14322 1.00000
Cu3 Cu 0.99995 0.81848 0.30141 1.00000
Cu4 Cu 0.99985 0.22174 0.14322 1.00000
Cu5 Cu 0.50015 0.07852 0.85678 1.00000
Cu6 Cu 0.50005 0.51707 0.69859 1.00000
Cu7 Cu 0.00015 0.77826 0.85678 1.00000
Cu8 Cu 0.00005 0.18152 0.69859 1.00000
Si1 Si 0.50000 0.00000 0.50000 1.00000
Si2 Si 0.00000 0.50000 0.50000 1.00000
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