Cr(Bi3Cl4)2
Alexandria ALEXAlex-ID: agm072125641 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_669_spg2
BiCl3 Bi CrCl3
2024-10-05 17:59:26.141676
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072125641).
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 agm072125641
data_agm072125641
_cell_length_a 6.31760
_cell_length_b 8.55189
_cell_length_c 9.93427
_cell_angle_alpha 99.49332
_cell_angle_beta 85.27441
_cell_angle_gamma 92.69400
_cell_volume 527.26789
_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
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.66285 0.37311 0.43286 1.00000
Bi2 Bi 0.33921 0.13087 0.54176 1.00000
Bi3 Bi 0.45379 0.73196 0.18615 1.00000
Bi4 Bi 0.33715 0.62689 0.56714 1.00000
Bi5 Bi 0.66079 0.86913 0.45824 1.00000
Bi6 Bi 0.54621 0.26804 0.81385 1.00000
Cl1 Cl 0.26068 0.01628 0.16239 1.00000
Cl2 Cl 0.73932 0.98372 0.83761 1.00000
Cl3 Cl 0.11083 0.61969 0.33626 1.00000
Cl4 Cl 0.86600 0.75921 0.05910 1.00000
Cl5 Cl 0.43597 0.57942 0.82361 1.00000
Cl6 Cl 0.88917 0.38031 0.66374 1.00000
Cl7 Cl 0.13400 0.24079 0.94090 1.00000
Cl8 Cl 0.56403 0.42058 0.17639 1.00000
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