Cu2Rh2Cl7
Alexandria ALEXAlex-ID: agm005570747 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_688_spg15
Cu3Cl4 RhCl3 Rh
2023-06-06 19:55:17.392234
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005570747).
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 agm005570747
data_agm005570747
_cell_length_a 7.04381
_cell_length_b 7.04381
_cell_length_c 19.23701
_cell_angle_alpha 129.09882
_cell_angle_beta 129.09882
_cell_angle_gamma 65.82304
_cell_volume 574.72359
_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 0.33117 0.10068 0.30684 1.00000
Cu2 Cu 0.10068 0.33117 0.80684 1.00000
Cu3 Cu 0.89932 0.66883 0.19316 1.00000
Cu4 Cu 0.66883 0.89932 0.69316 1.00000
Rh1 Rh 0.48534 0.74509 0.49272 1.00000
Rh2 Rh 0.25491 0.51466 0.00728 1.00000
Rh3 Rh 0.74509 0.48534 0.99272 1.00000
Rh4 Rh 0.51466 0.25491 0.50728 1.00000
Cl1 Cl 0.13517 0.55514 0.31227 1.00000
Cl2 Cl 0.14652 0.32539 0.04395 1.00000
Cl3 Cl 0.66939 0.34714 0.45118 1.00000
Cl4 Cl 0.96724 0.03276 0.25000 1.00000
Cl5 Cl 0.55514 0.13517 0.81227 1.00000
Cl6 Cl 0.32539 0.14652 0.54395 1.00000
Cl7 Cl 0.34714 0.66939 0.95118 1.00000
Cl8 Cl 0.65286 0.33061 0.04882 1.00000
Cl9 Cl 0.67461 0.85348 0.45605 1.00000
Cl10 Cl 0.44486 0.86483 0.18773 1.00000
Cl11 Cl 0.03276 0.96724 0.75000 1.00000
Cl12 Cl 0.33061 0.65286 0.54882 1.00000
Cl13 Cl 0.85348 0.67461 0.95605 1.00000
Cl14 Cl 0.86483 0.44486 0.68773 1.00000
