Al3ZnH8
Alexandria ALEXAlex-ID: agm007483886 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_780_spg5
Al3Zn4 Zn AlH3
2024-02-09 14:30:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007483886).
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 agm007483886
data_agm007483886
_cell_length_a 6.15531
_cell_length_b 6.15531
_cell_length_c 4.33140
_cell_angle_alpha 87.48870
_cell_angle_beta 87.48870
_cell_angle_gamma 107.97519
_cell_volume 155.66344
_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 0.53125 0.46875 0.50000 1.00000
Al2 Al 0.76028 0.84561 0.90533 1.00000
Al3 Al 0.15439 0.23972 0.09467 1.00000
Zn1 Zn 0.75353 0.24647 0.00000 1.00000
H1 H 0.16259 0.00853 0.26749 1.00000
H2 H 0.31596 0.28438 0.75972 1.00000
H3 H 0.99147 0.83741 0.73251 1.00000
H4 H 0.71562 0.68404 0.24028 1.00000
H5 H 0.74736 0.44759 0.72529 1.00000
H6 H 0.29416 0.47903 0.28613 1.00000
H7 H 0.52097 0.70584 0.71387 1.00000
H8 H 0.55241 0.25264 0.27471 1.00000
Get direct link