CsH6Rh
Alexandria ALEXAlex-ID: agm076152525 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_36_spg2
H8Rh3 Cs3H9Rh2 H2
2025-06-26 21:35:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076152525).
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
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# CIF generated by HEAS from Alexandria entry agm076152525
data_agm076152525
_cell_length_a 6.12493
_cell_length_b 5.08004
_cell_length_c 7.02944
_cell_angle_alpha 64.74397
_cell_angle_beta 134.96871
_cell_angle_gamma 127.05410
_cell_volume 123.49522
_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 0.91336 0.46907 0.94138 1.00000
H1 H 0.96842 0.81913 0.42398 1.00000
H2 H 0.57909 0.20146 0.26852 1.00000
H3 H 0.61908 0.11946 0.42534 1.00000
H4 H 0.41745 0.73116 0.70547 1.00000
H5 H 0.15653 0.20716 0.70587 1.00000
H6 H 0.84145 0.73373 0.26736 1.00000
Rh1 Rh 0.00462 0.46882 0.51209 1.00000
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