KZnH4Pd
Alexandria ALEXAlex-ID: agm007656202 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_1326_spg11
KH9 K2H6Pd K2ZnH4 ZnPd
2024-02-09 02:17:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007656202).
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 agm007656202
data_agm007656202
_cell_length_a 4.92077
_cell_length_b 6.17474
_cell_length_c 7.06281
_cell_angle_alpha 75.98443
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 208.21119
_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
K1 K 0.75000 0.79490 0.31404 1.00000
K2 K 0.25000 0.20510 0.68596 1.00000
Zn1 Zn 0.75000 0.36146 0.11647 1.00000
Zn2 Zn 0.25000 0.63854 0.88353 1.00000
H1 H 0.97059 0.21433 0.31989 1.00000
H2 H 0.47059 0.78567 0.68011 1.00000
H3 H 0.02941 0.78567 0.68011 1.00000
H4 H 0.52941 0.21433 0.31989 1.00000
H5 H 0.75000 0.47239 0.69762 1.00000
H6 H 0.25000 0.52761 0.30238 1.00000
H7 H 0.75000 0.89020 0.91337 1.00000
H8 H 0.25000 0.10980 0.08663 1.00000
Pd1 Pd 0.75000 0.67947 0.80853 1.00000
Pd2 Pd 0.25000 0.32053 0.19147 1.00000
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