Cu(HPd2)2
Alexandria ALEXAlex-ID: agm003451699 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1321_spg1
CuHPd2 CuPd3 HPd
2022-02-17 18:11:22.489070
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003451699).
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 agm003451699
data_agm003451699
_cell_length_a 4.95773
_cell_length_b 4.83221
_cell_length_c 7.51634
_cell_angle_alpha 110.34659
_cell_angle_beta 101.87169
_cell_angle_gamma 98.86855
_cell_volume 160.14494
_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 0.07348 0.77546 0.40435 1.00000
Cu2 Cu 0.15711 0.98251 0.08506 1.00000
H1 H 0.63012 0.36018 0.71940 1.00000
H2 H 0.77343 0.77281 0.13089 1.00000
H3 H 0.45618 0.26406 0.26540 1.00000
H4 H 0.21183 0.55030 0.92813 1.00000
Pd1 Pd 0.79753 0.17670 0.29821 1.00000
Pd2 Pd 0.45828 0.59064 0.19960 1.00000
Pd3 Pd 0.96609 0.58359 0.69463 1.00000
Pd4 Pd 0.66847 0.97144 0.59351 1.00000
Pd5 Pd 0.36273 0.36927 0.49161 1.00000
Pd6 Pd 0.26199 0.17002 0.78895 1.00000
Pd7 Pd 0.55905 0.78784 0.89591 1.00000
Pd8 Pd 0.87370 0.39517 0.00434 1.00000
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