H5(RhCl)2
Alexandria ALEXAlex-ID: agm006284576 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_312_spg12
H8Rh3 Rh HCl
2024-02-23 01:07:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006284576).
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 agm006284576
data_agm006284576
_cell_length_a 3.07041
_cell_length_b 4.49726
_cell_length_c 9.50180
_cell_angle_alpha 90.03652
_cell_angle_beta 82.40646
_cell_angle_gamma 69.94504
_cell_volume 122.01954
_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
H1 H 0.24547 0.57263 0.92309 1.00000
H2 H 0.75453 0.42737 0.07691 1.00000
H3 H 0.09903 0.44442 0.51675 1.00000
H4 H 0.90097 0.55558 0.48325 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.11990 0.67689 0.10071 1.00000
Rh2 Rh 0.88010 0.32311 0.89929 1.00000
Cl1 Cl 0.41872 0.94798 0.25978 1.00000
Cl2 Cl 0.58128 0.05202 0.74022 1.00000
Get direct link