AlZn2H8Pd
Alexandria ALEXAlex-ID: agm007178270 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_225_spg143
ZnH2 AlPd H2
2024-01-28 11:58:10.660719
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007178270).
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 agm007178270
data_agm007178270
_cell_length_a 4.46829
_cell_length_b 4.52451
_cell_length_c 6.47134
_cell_angle_alpha 100.00550
_cell_angle_beta 88.20052
_cell_angle_gamma 117.48205
_cell_volume 114.12305
_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 0.06181 0.98558 0.99299 1.00000
Zn1 Zn 0.39479 0.76687 0.36275 1.00000
Zn2 Zn 0.70671 0.24986 0.72135 1.00000
H1 H 0.01926 0.43766 0.51318 1.00000
H2 H 0.79150 0.06663 0.17745 1.00000
H3 H 0.67472 0.70394 0.50584 1.00000
H4 H 0.06399 0.71808 0.19009 1.00000
H5 H 0.04295 0.24828 0.83512 1.00000
H6 H 0.40663 0.34774 0.17067 1.00000
H7 H 0.73336 0.62164 0.85966 1.00000
H8 H 0.37059 0.95299 0.83373 1.00000
Pd1 Pd 0.73370 0.40076 0.33718 1.00000
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