AgH4Rh
Alexandria ALEXAlex-ID: agm005805827 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2397_spg15
Ag H8Rh3 H2
2023-07-10 00:52:42.742744
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005805827).
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 agm005805827
data_agm005805827
_cell_length_a 4.84002
_cell_length_b 5.80257
_cell_length_c 5.92803
_cell_angle_alpha 103.26294
_cell_angle_beta 95.53923
_cell_angle_gamma 129.56013
_cell_volume 118.21867
_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
Ag1 Ag 0.45476 0.70476 0.40953 1.00000
Ag2 Ag 0.54524 0.29524 0.59047 1.00000
H1 H 0.08023 0.67656 0.89769 1.00000
H2 H 0.31745 0.22113 0.89769 1.00000
H3 H 0.62723 0.46972 0.33733 1.00000
H4 H 0.37277 0.53028 0.66267 1.00000
H5 H 0.78990 0.13239 0.66267 1.00000
H6 H 0.68255 0.77887 0.10231 1.00000
H7 H 0.21010 0.86761 0.33733 1.00000
H8 H 0.91977 0.32344 0.10231 1.00000
Rh1 Rh 0.80829 0.55829 0.11657 1.00000
Rh2 Rh 0.19171 0.44171 0.88343 1.00000
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