UCuH4
Alexandria ALEXAlex-ID: agm096729031 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3_spg88
U4H15 CuH4 Cu
2025-05-26 22:37:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096729031).
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 agm096729031
data_agm096729031
_cell_length_a 3.60806
_cell_length_b 5.03769
_cell_length_c 6.48121
_cell_angle_alpha 112.87394
_cell_angle_beta 106.14745
_cell_angle_gamma 90.00982
_cell_volume 103.47519
_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 0.99771 0.62301 0.76375 1.00000
U2 U 0.76668 0.89145 0.30124 1.00000
Cu1 Cu 0.26665 0.39171 0.30200 1.00000
Cu2 Cu 0.49770 0.12315 0.76406 1.00000
H1 H 0.58116 0.49957 0.93032 1.00000
H2 H 0.38263 0.75744 0.53247 1.00000
H3 H 0.98024 0.10512 0.72860 1.00000
H4 H 0.18337 0.01504 0.13462 1.00000
H5 H 0.78417 0.40951 0.33633 1.00000
H6 H 0.58113 0.91295 0.93046 1.00000
H7 H 0.18341 0.60139 0.13450 1.00000
H8 H 0.38270 0.25724 0.53252 1.00000
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