Cu2H5Ru2
Alexandria ALEXAlex-ID: agm007284908 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_118_spg12
Cu CuH4 Ru
2024-03-15 18:55:38.000389
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007284908).
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 agm007284908
data_agm007284908
_cell_length_a 5.21424
_cell_length_b 5.21424
_cell_length_c 4.93960
_cell_angle_alpha 66.52168
_cell_angle_beta 66.52168
_cell_angle_gamma 33.70244
_cell_volume 67.75632
_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 0.64263 0.61567 0.20613 1.00000
Cu2 Cu 0.38433 0.35737 0.79387 1.00000
H1 H 0.73064 0.70752 0.72618 1.00000
H2 H 0.29248 0.26936 0.27382 1.00000
H3 H 0.94792 0.90980 0.92155 1.00000
H4 H 0.09020 0.05208 0.07845 1.00000
H5 H 0.89595 0.10405 0.50000 1.00000
Ru1 Ru 0.88172 0.86592 0.31040 1.00000
Ru2 Ru 0.13408 0.11828 0.68960 1.00000
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