Cd2H7Pd3
Alexandria ALEXAlex-ID: agm101536742 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_880_spg1
H4Pd H2 CdPd
2025-05-16 12:29:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101536742).
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 agm101536742
data_agm101536742
_cell_length_a 3.81993
_cell_length_b 5.03137
_cell_length_c 7.48597
_cell_angle_alpha 77.33392
_cell_angle_beta 77.37887
_cell_angle_gamma 65.47216
_cell_volume 126.38367
_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
Cd1 Cd 0.08518 0.34646 0.16294 1.00000
Cd2 Cd 0.59903 0.60478 0.86466 1.00000
H1 H 0.76284 0.44060 0.43120 1.00000
H2 H 0.53201 0.09688 0.57818 1.00000
H3 H 0.01475 0.89211 0.81149 1.00000
H4 H 0.98145 0.50223 0.62443 1.00000
H5 H 0.20027 0.85762 0.47984 1.00000
H6 H 0.62892 0.09489 0.24631 1.00000
H7 H 0.09624 0.73240 0.21912 1.00000
Pd1 Pd 0.85846 0.97581 0.03581 1.00000
Pd2 Pd 0.96947 0.16539 0.60585 1.00000
Pd3 Pd 0.77138 0.79083 0.44017 1.00000
Get direct link