Li8HO4
Alexandria ALEXAlex-ID: agm097909515 · Space group: P3m1 (#156)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_202_spg12
Li2O LiHO LiH
2025-06-16 02:11:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097909515).
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 agm097909515
data_agm097909515
_cell_length_a 4.89226
_cell_length_b 6.24552
_cell_length_c 6.24550
_cell_angle_alpha 59.99959
_cell_angle_beta 89.95637
_cell_angle_gamma 89.92823
_cell_volume 165.26206
_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 0.13190 0.17019 0.65930 1.00000
Li2 Li 0.13192 0.17020 0.17033 1.00000
Li3 Li 0.16604 0.66649 0.66664 1.00000
Li4 Li 0.13189 0.65918 0.17031 1.00000
Li5 Li 0.83102 0.36830 0.81593 1.00000
Li6 Li 0.83083 0.33345 0.33335 1.00000
Li7 Li 0.83097 0.81602 0.81592 1.00000
Li8 Li 0.83101 0.81602 0.36821 1.00000
H1 H 0.71619 0.00019 0.00003 1.00000
O1 O 0.92168 0.00004 0.00001 1.00000
O2 O 0.99218 0.99847 0.50075 1.00000
O3 O 0.99218 0.50073 0.99850 1.00000
O4 O 0.99218 0.50072 0.50074 1.00000
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