Li2Ac3(SO2)2
Alexandria ALEXAlex-ID: agm004489447 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D4_0_spg139
LiAcSO Li2SO4 Ac2SO2 Li2O
2022-06-18 01:49:28.188095
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004489447).
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 agm004489447
data_agm004489447
_cell_length_a 4.11819
_cell_length_b 4.11819
_cell_length_c 11.36472
_cell_angle_alpha 100.43867
_cell_angle_beta 100.43867
_cell_angle_gamma 90.00000
_cell_volume 186.30497
_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 0.41467 0.41467 0.82934 1.00000
Li2 Li 0.58533 0.58533 0.17066 1.00000
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
Ac2 Ac 0.15590 0.15590 0.31179 1.00000
Ac3 Ac 0.84410 0.84410 0.68821 1.00000
S1 S 0.29820 0.29820 0.59640 1.00000
S2 S 0.70180 0.70180 0.40360 1.00000
O1 O 0.42339 0.92339 0.84679 1.00000
O2 O 0.92339 0.42339 0.84679 1.00000
O3 O 0.07661 0.57661 0.15321 1.00000
O4 O 0.57661 0.07661 0.15321 1.00000
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