U2Cu2H5
Alexandria ALEXAlex-ID: agm007326005 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_532_spg9
U Cu UH3
2024-02-08 13:36:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007326005).
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 agm007326005
data_agm007326005
_cell_length_a 8.98758
_cell_length_b 8.98758
_cell_length_c 8.98758
_cell_angle_alpha 153.05149
_cell_angle_beta 147.02233
_cell_angle_gamma 43.08870
_cell_volume 178.63294
_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
U1 U 0.00000 0.50000 0.50000 1.00000
U2 U 0.50000 0.00000 0.50000 1.00000
U3 U 0.83367 0.25000 0.58367 1.00000
U4 U 0.16633 0.75000 0.41633 1.00000
Cu1 Cu 0.77077 0.86071 0.91006 1.00000
Cu2 Cu 0.22923 0.13929 0.08994 1.00000
Cu3 Cu 0.45065 0.36071 0.08994 1.00000
Cu4 Cu 0.54935 0.63929 0.91006 1.00000
H1 H 0.44101 0.54024 0.90077 1.00000
H2 H 0.55899 0.45976 0.09923 1.00000
H3 H 0.13948 0.04024 0.09923 1.00000
H4 H 0.86052 0.95976 0.90077 1.00000
H5 H 0.11952 0.61952 0.00000 1.00000
H6 H 0.88048 0.88048 0.50000 1.00000
H7 H 0.11952 0.11952 0.50000 1.00000
H8 H 0.88048 0.38048 0.00000 1.00000
H9 H 0.37576 0.25000 0.12576 1.00000
H10 H 0.62424 0.75000 0.87424 1.00000
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