CuH4Rh
Alexandria ALEXAlex-ID: agm005755178 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2334_spg15
H8Rh3 Cu CuH4
2023-07-10 00:16:24.131244
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755178).
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 agm005755178
data_agm005755178
_cell_length_a 4.68095
_cell_length_b 5.05907
_cell_length_c 5.60690
_cell_angle_alpha 103.26883
_cell_angle_beta 100.24734
_cell_angle_gamma 122.06862
_cell_volume 102.02567
_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 0.44721 0.69721 0.39441 1.00000
Cu2 Cu 0.55279 0.30279 0.60559 1.00000
H1 H 0.00622 0.66595 0.87932 1.00000
H2 H 0.37310 0.21337 0.87932 1.00000
H3 H 0.67813 0.50892 0.38827 1.00000
H4 H 0.32187 0.49108 0.61173 1.00000
H5 H 0.78986 0.12065 0.61173 1.00000
H6 H 0.62690 0.78663 0.12068 1.00000
H7 H 0.21014 0.87935 0.38827 1.00000
H8 H 0.99378 0.33405 0.12068 1.00000
Rh1 Rh 0.81789 0.56789 0.13578 1.00000
Rh2 Rh 0.18211 0.43211 0.86422 1.00000
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