Cu2H8Ru3Rh
Alexandria ALEXAlex-ID: agm006625366 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_190_spg160
CuH4 Cu H8Rh3 Ru
2024-02-29 16:01:59.165921
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006625366).
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 agm006625366
data_agm006625366
_cell_length_a 5.55085
_cell_length_b 5.55085
_cell_length_c 5.55085
_cell_angle_alpha 60.32509
_cell_angle_beta 60.32509
_cell_angle_gamma 60.32509
_cell_volume 121.82779
_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 0.15359 0.15359 0.15359 1.00000
Cu2 Cu 0.48660 0.48660 0.48660 1.00000
H1 H 0.27022 0.27022 0.27022 1.00000
H2 H 0.73160 0.73160 0.73160 1.00000
H3 H 0.72861 0.22050 0.22050 1.00000
H4 H 0.22050 0.22050 0.72861 1.00000
H5 H 0.22050 0.72861 0.22050 1.00000
H6 H 0.73988 0.25937 0.73988 1.00000
H7 H 0.73988 0.73988 0.25937 1.00000
H8 H 0.25937 0.73988 0.73988 1.00000
Ru1 Ru 0.49517 0.97875 0.49517 1.00000
Ru2 Ru 0.49517 0.49517 0.97875 1.00000
Ru3 Ru 0.97875 0.49517 0.49517 1.00000
Rh1 Rh 0.97283 0.97283 0.97283 1.00000
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