Zn(H2Pd)3
Alexandria ALEXAlex-ID: agm007690125 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_876_spg8
ZnHPd2 H4Pd ZnPd
2025-05-27 05:39:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007690125).
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 agm007690125
data_agm007690125
_cell_length_a 2.84027
_cell_length_b 4.65893
_cell_length_c 7.31334
_cell_angle_alpha 104.53496
_cell_angle_beta 89.99566
_cell_angle_gamma 90.21845
_cell_volume 93.67641
_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
Zn1 Zn 0.99777 0.62209 0.54254 1.00000
H1 H 0.00163 0.31177 0.62952 1.00000
H2 H 0.50114 0.30899 0.97079 1.00000
H3 H 0.00078 0.98057 0.27097 1.00000
H4 H 0.99881 0.47493 0.25372 1.00000
H5 H 0.49932 0.87695 0.04597 1.00000
H6 H 0.99979 0.94754 0.78546 1.00000
Pd1 Pd 0.00038 0.12859 0.05279 1.00000
Pd2 Pd 0.50058 0.11591 0.68913 1.00000
Pd3 Pd 0.49980 0.73266 0.25911 1.00000
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