CuSiB
Alexandria ALEXAlex-ID: agm003040211 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_1260_spg1
SiB3 Cu15Si4 Si
2023-03-28 08:56:33.467387
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003040211).
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 agm003040211
data_agm003040211
_cell_length_a 3.45427
_cell_length_b 5.39609
_cell_length_c 4.75470
_cell_angle_alpha 74.66906
_cell_angle_beta 74.75537
_cell_angle_gamma 103.83258
_cell_volume 77.79641
_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
Si1 Si 0.25156 0.41507 0.11557 1.00000
Si2 Si 0.73121 0.70098 0.57335 1.00000
B1 B 0.20745 0.54184 0.48568 1.00000
B2 B 0.83460 0.38284 0.88746 1.00000
Cu1 Cu 0.91799 0.10884 0.64644 1.00000
Cu2 Cu 0.41161 0.97873 0.19131 1.00000
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