UCu3H4
Alexandria ALEXAlex-ID: agm007129541 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_301_spg107
U4H15 CuH4 Cu
2025-05-27 16:50:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007129541).
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 agm007129541
data_agm007129541
_cell_length_a 4.20430
_cell_length_b 5.71602
_cell_length_c 4.29301
_cell_angle_alpha 112.03110
_cell_angle_beta 120.61156
_cell_angle_gamma 90.77814
_cell_volume 79.55529
_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 0.98609 0.01399 0.47892 1.00000
Cu1 Cu 0.48649 0.51500 0.45486 1.00000
Cu2 Cu 0.22067 0.63458 0.89627 1.00000
Cu3 Cu 0.75146 0.39365 0.04063 1.00000
H1 H 0.14424 0.64088 0.47312 1.00000
H2 H 0.29420 0.96362 0.11378 1.00000
H3 H 0.82584 0.38645 0.68552 1.00000
H4 H 0.67806 0.06478 0.85691 1.00000
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