Cu(H4Pd)2
Alexandria ALEXAlex-ID: agm081882425 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_212_spg2
H4Pd Cu
2025-06-11 22:08:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm081882425).
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 agm081882425
data_agm081882425
_cell_length_a 5.26568
_cell_length_b 4.46612
_cell_length_c 5.28593
_cell_angle_alpha 64.38233
_cell_angle_beta 50.57099
_cell_angle_gamma 64.55042
_cell_volume 84.40546
_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 0.95447 0.90783 0.13803 1.00000
H1 H 0.68146 0.80954 0.10545 1.00000
H2 H 0.47591 0.36046 0.70695 1.00000
H3 H 0.98257 0.01080 0.40881 1.00000
H4 H 0.38284 0.85859 0.80720 1.00000
H5 H 0.38122 0.45754 0.61672 1.00000
H6 H 0.28120 0.96091 0.70857 1.00000
H7 H 0.67900 0.31161 0.10878 1.00000
H8 H 0.98512 0.50357 0.41508 1.00000
Pd1 Pd 0.33522 0.17256 0.22768 1.00000
Pd2 Pd 0.86100 0.64660 0.75672 1.00000
Get direct link