LiZnH4
Alexandria ALEXAlex-ID: agm007432844 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_801_spg2
LiH9 ZnH2 LiH
2024-02-09 00:20:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007432844).
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 agm007432844
data_agm007432844
_cell_length_a 4.68576
_cell_length_b 5.10256
_cell_length_c 5.12095
_cell_angle_alpha 98.52025
_cell_angle_beta 100.40389
_cell_angle_gamma 101.31925
_cell_volume 115.92366
_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 0.59110 0.35695 0.08748 1.00000
Li2 Li 0.40918 0.80960 0.82920 1.00000
Zn1 Zn 0.97641 0.21241 0.68212 1.00000
Zn2 Zn 0.02392 0.95441 0.23505 1.00000
H1 H 0.08362 0.90743 0.57404 1.00000
H2 H 0.33365 0.02432 0.13605 1.00000
H3 H 0.25018 0.45052 0.86206 1.00000
H4 H 0.91661 0.25931 0.34300 1.00000
H5 H 0.66646 0.14228 0.78065 1.00000
H6 H 0.75018 0.71627 0.05488 1.00000
H7 H 0.55761 0.64294 0.44952 1.00000
H8 H 0.44109 0.52356 0.46594 1.00000
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