Cd3H3Pd4
Alexandria ALEXAlex-ID: agm006353754 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C4_31_spg1
Cd(HPd)2 H4Pd CdPd
2024-02-24 09:47:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006353754).
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 agm006353754
data_agm006353754
_cell_length_a 4.93747
_cell_length_b 5.53310
_cell_length_c 5.89120
_cell_angle_alpha 106.57409
_cell_angle_beta 89.57529
_cell_angle_gamma 113.33975
_cell_volume 140.61173
_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 0.14204 0.23384 0.41541 1.00000
Cd2 Cd 0.68940 0.69312 0.04336 1.00000
Cd3 Cd 0.72520 0.73126 0.55628 1.00000
H1 H 0.00366 0.38956 0.78601 1.00000
H2 H 0.40721 0.10208 0.88726 1.00000
H3 H 0.00354 0.39550 0.13806 1.00000
Pd1 Pd 0.63493 0.21361 0.17165 1.00000
Pd2 Pd 0.21395 0.72739 0.80264 1.00000
Pd3 Pd 0.63070 0.22134 0.66196 1.00000
Pd4 Pd 0.21530 0.73327 0.30033 1.00000
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