CsRuCl5
Alexandria ALEXAlex-ID: agm005753613 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_423_spg15
CsRuCl6 Cs2RuCl6 RuCl3
2023-07-14 00:29:04.790655
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753613).
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 agm005753613
data_agm005753613
_cell_length_a 7.55161
_cell_length_b 7.55161
_cell_length_c 10.30152
_cell_angle_alpha 87.42510
_cell_angle_beta 114.75117
_cell_angle_gamma 119.35013
_cell_volume 455.38232
_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
Cs1 Cs 0.74803 0.49803 0.25000 1.00000
Cs2 Cs 0.25197 0.50197 0.75000 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Ru2 Ru 0.50000 0.00000 0.50000 1.00000
Cl1 Cl 0.72667 0.92262 0.07794 1.00000
Cl2 Cl 0.20597 0.91893 0.55776 1.00000
Cl3 Cl 0.65533 0.35128 0.57794 1.00000
Cl4 Cl 0.27931 0.02931 0.25000 1.00000
Cl5 Cl 0.86117 0.64821 0.94224 1.00000
Cl6 Cl 0.13883 0.35179 0.05776 1.00000
Cl7 Cl 0.72069 0.97069 0.75000 1.00000
Cl8 Cl 0.34467 0.64872 0.42206 1.00000
Cl9 Cl 0.79403 0.08107 0.44224 1.00000
Cl10 Cl 0.27333 0.07738 0.92206 1.00000
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