RbCuICl
Alexandria ALEXAlex-ID: agm005180643 · Space group: P3m1 (#156)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD_53_spg156
Cu3I4 RbCl Cu
2022-07-10 10:51:31.686118
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005180643).
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 agm005180643
data_agm005180643
_cell_length_a 4.52794
_cell_length_b 4.52177
_cell_length_c 7.52778
_cell_angle_alpha 89.87645
_cell_angle_beta 90.00000
_cell_angle_gamma 120.04514
_cell_volume 133.41587
_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
Rb1 Rb 0.90386 0.80772 0.71089 1.00000
Cu1 Cu 0.24084 0.48169 0.24338 1.00000
I1 I 0.57261 0.14522 0.34659 1.00000
Cl1 Cl 0.23702 0.47404 0.93827 1.00000
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