UCu2H8Pd
Alexandria ALEXAlex-ID: agm007276035 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1434_spg12
CuH4 U4H15 H4Pd Cu
2024-08-08 00:06:08.048205
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007276035).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm007276035
data_agm007276035
_cell_length_a 3.96613
_cell_length_b 4.16808
_cell_length_c 6.77073
_cell_angle_alpha 112.87741
_cell_angle_beta 99.45554
_cell_angle_gamma 84.89618
_cell_volume 101.68367
_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
Cu1 Cu 0.52571 0.76652 0.19615 1.00000
Cu2 Cu 0.47429 0.23348 0.80385 1.00000
H1 H 0.69595 0.84978 0.77580 1.00000
H2 H 0.24880 0.61984 0.91552 1.00000
H3 H 0.11854 0.07975 0.63859 1.00000
H4 H 0.30405 0.15022 0.22420 1.00000
H5 H 0.75120 0.38016 0.08448 1.00000
H6 H 0.88146 0.92025 0.36141 1.00000
H7 H 0.54253 0.36902 0.60250 1.00000
H8 H 0.45747 0.63098 0.39750 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
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