AlZn2H8Pd
Alexandria ALEXAlex-ID: agm007238535 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_819_spg12
ZnH2 AlPd H2
2024-02-09 13:13:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007238535).
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 agm007238535
data_agm007238535
_cell_length_a 5.66715
_cell_length_b 5.00968
_cell_length_c 5.98281
_cell_angle_alpha 97.33208
_cell_angle_beta 107.40871
_cell_angle_gamma 123.00325
_cell_volume 126.64492
_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
Al1 Al 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.90926 0.42407 0.67315 1.00000
Zn2 Zn 0.09074 0.57593 0.32685 1.00000
H1 H 0.34584 0.20805 0.95745 1.00000
H2 H 0.27930 0.72976 0.67735 1.00000
H3 H 0.12166 0.89805 0.26555 1.00000
H4 H 0.65416 0.79195 0.04255 1.00000
H5 H 0.72070 0.27024 0.32265 1.00000
H6 H 0.87834 0.10195 0.73445 1.00000
H7 H 0.75094 0.58504 0.75775 1.00000
H8 H 0.24906 0.41496 0.24225 1.00000
Pd1 Pd 0.50000 0.00000 0.00000 1.00000
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