Al2ZnH6Pd
Alexandria ALEXAlex-ID: agm007690504 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2007_spg2
AlH9 AlH3 ZnH2 AlPd
2024-02-09 08:32:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007690504).
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 agm007690504
data_agm007690504
_cell_length_a 4.45206
_cell_length_b 4.81158
_cell_length_c 6.63264
_cell_angle_alpha 53.83680
_cell_angle_beta 110.84441
_cell_angle_gamma 91.53675
_cell_volume 103.99336
_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 0.42045 0.86192 0.87121 1.00000
Al2 Al 0.57955 0.13808 0.12879 1.00000
Zn1 Zn 0.50000 0.50000 0.50000 1.00000
H1 H 0.96269 0.83097 0.83645 1.00000
H2 H 0.40010 0.61260 0.76906 1.00000
H3 H 0.78589 0.72113 0.49289 1.00000
H4 H 0.03731 0.16903 0.16355 1.00000
H5 H 0.59990 0.38740 0.23094 1.00000
H6 H 0.21411 0.27887 0.50711 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
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