LiHO
Alexandria ALEXAlex-ID: agm080536094 · Space group: P2_12_12_1 (#19)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_303_spg62
LiHO
2025-03-13 04:33:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080536094).
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 agm080536094
data_agm080536094
_cell_length_a 3.91750
_cell_length_b 4.53720
_cell_length_c 6.15434
_cell_angle_alpha 90.00001
_cell_angle_beta 90.00034
_cell_angle_gamma 89.99893
_cell_volume 109.39018
_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 0.92821 0.34798 0.64807 1.00000
Li2 Li 0.23846 0.84797 0.85193 1.00000
Li3 Li 0.42823 0.15204 0.35192 1.00000
Li4 Li 0.73843 0.65204 0.14810 1.00000
H1 H 0.71014 0.16260 0.00822 1.00000
H2 H 0.95650 0.83740 0.50823 1.00000
H3 H 0.21017 0.33740 0.99177 1.00000
H4 H 0.45653 0.66259 0.49176 1.00000
O1 O 0.63053 0.52389 0.43795 1.00000
O2 O 0.53615 0.02392 0.06205 1.00000
O3 O 0.13050 0.97609 0.56203 1.00000
O4 O 0.03615 0.47609 0.93797 1.00000
Get direct link