CsH4Rh
Alexandria ALEXAlex-ID: agm007357776 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3_spg88
H8Rh3 Cs3H9Rh2 H2
2024-04-07 08:08:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007357776).
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 agm007357776
data_agm007357776
_cell_length_a 4.83291
_cell_length_b 6.33784
_cell_length_c 7.05416
_cell_angle_alpha 113.76955
_cell_angle_beta 110.24396
_cell_angle_gamma 88.46202
_cell_volume 183.92408
_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 0.23347 0.32186 0.16243 1.00000
Cs2 Cs 0.76653 0.67814 0.83757 1.00000
H1 H 0.81048 0.67407 0.28945 1.00000
H2 H 0.56354 0.16067 0.82555 1.00000
H3 H 0.04464 0.97700 0.66868 1.00000
H4 H 0.44893 0.80497 0.46912 1.00000
H5 H 0.18952 0.32593 0.71055 1.00000
H6 H 0.43646 0.83933 0.17445 1.00000
H7 H 0.95536 0.02300 0.33132 1.00000
H8 H 0.55107 0.19503 0.53088 1.00000
Rh1 Rh 0.70656 0.91645 0.40693 1.00000
Rh2 Rh 0.29344 0.08355 0.59307 1.00000
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