LiZnH5
Alexandria ALEXAlex-ID: agm095967358 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_2592_spg1
LiH9 ZnH2 LiH
2025-05-28 01:52:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm095967358).
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 agm095967358
data_agm095967358
_cell_length_a 5.05002
_cell_length_b 5.36789
_cell_length_c 5.30944
_cell_angle_alpha 88.93183
_cell_angle_beta 86.67564
_cell_angle_gamma 98.91376
_cell_volume 141.89464
_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
Li1 Li 0.04318 0.55152 0.70261 1.00000
Li2 Li 0.62797 0.18900 0.25564 1.00000
Zn1 Zn 0.08706 0.95687 0.02567 1.00000
Zn2 Zn 0.03293 0.07116 0.53604 1.00000
H1 H 0.34560 0.62256 0.40100 1.00000
H2 H 0.84744 0.29605 0.51190 1.00000
H3 H 0.16439 0.67686 0.00367 1.00000
H4 H 0.59319 0.41720 0.94050 1.00000
H5 H 0.23995 0.16150 0.76877 1.00000
H6 H 0.77326 0.99277 0.03690 1.00000
H7 H 0.88342 0.78580 0.53605 1.00000
H8 H 0.25614 0.11547 0.26519 1.00000
H9 H 0.44476 0.63455 0.50403 1.00000
H10 H 0.66069 0.52869 0.01203 1.00000
Get direct link