Li2SO5
Alexandria ALEXAlex-ID: agm005265235 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_759_spg4
Li2SO4 SO12 LiO8
2023-05-07 04:24:10.400500
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005265235).
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 agm005265235
data_agm005265235
_cell_length_a 5.05980
_cell_length_b 5.20299
_cell_length_c 8.04429
_cell_angle_alpha 78.55022
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 207.56039
_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 0.51586 0.69150 0.99252 1.00000
Li2 Li 0.01586 0.30850 0.00748 1.00000
Li3 Li 0.47653 0.46375 0.37809 1.00000
Li4 Li 0.97653 0.53625 0.62191 1.00000
S1 S 0.00897 0.72402 0.22096 1.00000
S2 S 0.50897 0.27598 0.77904 1.00000
O1 O 0.04684 0.01400 0.19765 1.00000
O2 O 0.54684 0.98600 0.80235 1.00000
O3 O 0.10878 0.59228 0.38991 1.00000
O4 O 0.60878 0.40772 0.61009 1.00000
O5 O 0.15614 0.62225 0.08660 1.00000
O6 O 0.65614 0.37775 0.91340 1.00000
O7 O 0.72234 0.66661 0.20602 1.00000
O8 O 0.22234 0.33339 0.79398 1.00000
O9 O 0.42674 0.07973 0.34382 1.00000
O10 O 0.92674 0.92027 0.65618 1.00000
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