CuBiCl4
Alexandria ALEXAlex-ID: agm003735537 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1_spg15
Cu3Cl4 BiCl3 Cu
2022-04-21 18:39:52.151265
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003735537).
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 agm003735537
data_agm003735537
_cell_length_a 6.37504
_cell_length_b 6.13782
_cell_length_c 10.03946
_cell_angle_alpha 104.27598
_cell_angle_beta 105.10602
_cell_angle_gamma 100.72625
_cell_volume 354.14150
_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
Cu1 Cu 0.87310 0.12310 0.24620 1.00000
Cu2 Cu 0.12690 0.87690 0.75380 1.00000
Bi1 Bi 0.32459 0.57459 0.14918 1.00000
Bi2 Bi 0.67541 0.42541 0.85082 1.00000
Cl1 Cl 0.35197 0.06620 0.65627 1.00000
Cl2 Cl 0.99355 0.80716 0.10191 1.00000
Cl3 Cl 0.19570 0.40992 0.34373 1.00000
Cl4 Cl 0.39164 0.70526 0.89809 1.00000
Cl5 Cl 0.64803 0.93380 0.34373 1.00000
Cl6 Cl 0.80430 0.59008 0.65627 1.00000
Cl7 Cl 0.00645 0.19284 0.89809 1.00000
Cl8 Cl 0.60836 0.29474 0.10191 1.00000
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