CdH4Pd
Alexandria ALEXAlex-ID: agm007482370 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_221_spg11
H2 CdPd
2025-05-26 23:18:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007482370).
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 agm007482370
data_agm007482370
_cell_length_a 5.46213
_cell_length_b 5.10583
_cell_length_c 6.68344
_cell_angle_alpha 48.98025
_cell_angle_beta 74.06663
_cell_angle_gamma 72.00674
_cell_volume 133.08133
_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 0.94072 0.94027 0.35095 1.00000
Cd2 Cd 0.05927 0.05957 0.73234 1.00000
H1 H 0.29884 0.52189 0.47413 1.00000
H2 H 0.16238 0.21144 0.35060 1.00000
H3 H 0.70113 0.47806 0.60923 1.00000
H4 H 0.83753 0.78870 0.73267 1.00000
H5 H 0.34366 0.64239 0.90265 1.00000
H6 H 0.65640 0.35766 0.18067 1.00000
H7 H 0.56396 0.08116 0.00983 1.00000
H8 H 0.43607 0.91882 0.07363 1.00000
Pd1 Pd 0.69314 0.42978 0.87923 1.00000
Pd2 Pd 0.30689 0.57025 0.20409 1.00000
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