LiHSeO4
Alexandria ALEXAlex-ID: agm007654982 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_235_spg14
H4SeO5 LiO8 Li2SeO4 SeO2
2024-12-28 01:05:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007654982).
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 agm007654982
data_agm007654982
_cell_length_a 5.89455
_cell_length_b 7.72829
_cell_length_c 8.59325
_cell_angle_alpha 90.00000
_cell_angle_beta 92.36740
_cell_angle_gamma 90.00000
_cell_volume 391.12988
_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 0.50378 0.30959 0.00195 1.00000
Li2 Li 0.49622 0.80959 0.49805 1.00000
Li3 Li 0.49622 0.69041 0.99805 1.00000
Li4 Li 0.50378 0.19041 0.50195 1.00000
H1 H 0.10845 0.62372 0.79263 1.00000
H2 H 0.89155 0.12372 0.70737 1.00000
H3 H 0.89155 0.37628 0.20737 1.00000
H4 H 0.10845 0.87628 0.29263 1.00000
Se1 Se 0.77355 0.48808 0.71015 1.00000
Se2 Se 0.22645 0.98808 0.78985 1.00000
Se3 Se 0.22645 0.51192 0.28985 1.00000
Se4 Se 0.77355 0.01192 0.21015 1.00000
O1 O 0.63504 0.49979 0.87456 1.00000
O2 O 0.36496 0.99979 0.62544 1.00000
O3 O 0.36496 0.50021 0.12544 1.00000
O4 O 0.63504 0.00021 0.37456 1.00000
O5 O 0.75538 0.28969 0.63535 1.00000
O6 O 0.24462 0.78969 0.86465 1.00000
O7 O 0.24462 0.71031 0.36465 1.00000
O8 O 0.75538 0.21031 0.13535 1.00000
O9 O 0.70415 0.64085 0.58567 1.00000
O10 O 0.29585 0.14085 0.91433 1.00000
O11 O 0.29585 0.35915 0.41433 1.00000
O12 O 0.70415 0.85915 0.08567 1.00000
O13 O 0.06375 0.50194 0.75701 1.00000
O14 O 0.93625 0.00194 0.74299 1.00000
O15 O 0.93625 0.49806 0.24299 1.00000
O16 O 0.06375 0.99806 0.25701 1.00000
