Tl2SO3
Alexandria ALEXAlex-ID: agm005249738 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4495_spg14
Tl2SO4 Tl2S
2023-05-10 06:23:47.355420
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005249738).
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 agm005249738
data_agm005249738
_cell_length_a 7.55865
_cell_length_b 6.84541
_cell_length_c 10.93266
_cell_angle_alpha 72.20638
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 538.61883
_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
Tl1 Tl 0.16342 0.67894 0.54716 1.00000
Tl2 Tl 0.64219 0.90430 0.30927 1.00000
Tl3 Tl 0.66342 0.32106 0.95284 1.00000
Tl4 Tl 0.14219 0.09570 0.19073 1.00000
Tl5 Tl 0.85781 0.90430 0.80927 1.00000
Tl6 Tl 0.33658 0.67894 0.04716 1.00000
Tl7 Tl 0.35781 0.09570 0.69073 1.00000
Tl8 Tl 0.83658 0.32106 0.45284 1.00000
S1 S 0.39952 0.41578 0.36690 1.00000
S2 S 0.89952 0.58422 0.13310 1.00000
S3 S 0.60048 0.58422 0.63310 1.00000
S4 S 0.10048 0.41578 0.86690 1.00000
O1 O 0.84925 0.65034 0.25179 1.00000
O2 O 0.88256 0.34803 0.17935 1.00000
O3 O 0.75165 0.66004 0.53380 1.00000
O4 O 0.38256 0.65197 0.32065 1.00000
O5 O 0.25165 0.33996 0.96620 1.00000
O6 O 0.34925 0.34966 0.24821 1.00000
O7 O 0.65075 0.65034 0.75179 1.00000
O8 O 0.24835 0.33996 0.46620 1.00000
O9 O 0.11744 0.65197 0.82065 1.00000
O10 O 0.74835 0.66004 0.03380 1.00000
O11 O 0.61744 0.34803 0.67935 1.00000
O12 O 0.15075 0.34966 0.74821 1.00000
