Zn3H3Rh4
Alexandria ALEXAlex-ID: agm006353545 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C4_320_spg8
Zn(H2Rh)2 H8Rh3 ZnRh
2024-02-24 10:57:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006353545).
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 agm006353545
data_agm006353545
_cell_length_a 5.33799
_cell_length_b 5.33799
_cell_length_c 8.79778
_cell_angle_alpha 63.28398
_cell_angle_beta 63.28398
_cell_angle_gamma 31.09269
_cell_volume 114.50020
_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
Zn1 Zn 0.78539 0.78539 0.45714 1.00000
Zn2 Zn 0.00897 0.00897 0.02081 1.00000
Zn3 Zn 0.02903 0.02903 0.51337 1.00000
H1 H 0.69568 0.69568 0.83385 1.00000
H2 H 0.35926 0.35926 0.86161 1.00000
H3 H 0.71471 0.71471 0.12826 1.00000
Rh1 Rh 0.26931 0.26931 0.21555 1.00000
Rh2 Rh 0.54715 0.54715 0.75569 1.00000
Rh3 Rh 0.28996 0.28996 0.71530 1.00000
Rh4 Rh 0.52181 0.52181 0.26138 1.00000
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