La2In2(SO)3
Alexandria ALEXAlex-ID: agm071189481 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D3_48_spg212
La2SO2 In2O3 In2S3
2024-08-07 04:56:16.565986
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071189481).
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 agm071189481
data_agm071189481
_cell_length_a 9.45580
_cell_length_b 9.45580
_cell_length_c 9.45580
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 845.46360
_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
La1 La 0.49703 0.49703 0.49703 1.00000
La2 La 0.00297 0.50297 0.99703 1.00000
La3 La 0.50297 0.99703 0.00297 1.00000
La4 La 0.99703 0.00297 0.50297 1.00000
La5 La 0.74703 0.24703 0.25297 1.00000
La6 La 0.75297 0.75297 0.75297 1.00000
La7 La 0.24703 0.25297 0.74703 1.00000
La8 La 0.25297 0.74703 0.24703 1.00000
In1 In 0.30250 0.30250 0.30250 1.00000
In2 In 0.19750 0.69750 0.80250 1.00000
In3 In 0.69750 0.80250 0.19750 1.00000
In4 In 0.80250 0.19750 0.69750 1.00000
In5 In 0.55250 0.05250 0.44750 1.00000
In6 In 0.94750 0.94750 0.94750 1.00000
In7 In 0.05250 0.44750 0.55250 1.00000
In8 In 0.44750 0.55250 0.05250 1.00000
S1 S 0.62500 0.79012 0.45988 1.00000
S2 S 0.87500 0.20988 0.95988 1.00000
S3 S 0.37500 0.29012 0.04012 1.00000
S4 S 0.12500 0.70988 0.54012 1.00000
S5 S 0.45988 0.62500 0.79012 1.00000
S6 S 0.95988 0.87500 0.20988 1.00000
S7 S 0.04012 0.37500 0.29012 1.00000
S8 S 0.54012 0.12500 0.70988 1.00000
S9 S 0.79012 0.45988 0.62500 1.00000
S10 S 0.20988 0.95988 0.87500 1.00000
S11 S 0.29012 0.04012 0.37500 1.00000
S12 S 0.70988 0.54012 0.12500 1.00000
O1 O 0.62500 0.03687 0.21313 1.00000
O2 O 0.87500 0.96313 0.71313 1.00000
O3 O 0.37500 0.53687 0.28687 1.00000
O4 O 0.12500 0.46313 0.78687 1.00000
O5 O 0.21313 0.62500 0.03687 1.00000
O6 O 0.71313 0.87500 0.96313 1.00000
O7 O 0.28687 0.37500 0.53687 1.00000
O8 O 0.78687 0.12500 0.46313 1.00000
O9 O 0.03687 0.21313 0.62500 1.00000
O10 O 0.96313 0.71313 0.87500 1.00000
O11 O 0.53687 0.28687 0.37500 1.00000
O12 O 0.46313 0.78687 0.12500 1.00000
