Sr2Sn2(SO)3
Alexandria ALEXAlex-ID: agm071342015 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D3_48_spg212
Sr2Sn3O8 SnS SrSnS2 SrSO4
2024-09-10 08:56:29.551796
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071342015).
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 agm071342015
data_agm071342015
_cell_length_a 9.45215
_cell_length_b 9.45215
_cell_length_c 9.45215
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 844.48382
_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
Sr1 Sr 0.50483 0.50483 0.50483 1.00000
Sr2 Sr 0.99517 0.49517 0.00483 1.00000
Sr3 Sr 0.49517 0.00483 0.99517 1.00000
Sr4 Sr 0.00483 0.99517 0.49517 1.00000
Sr5 Sr 0.75483 0.25483 0.24517 1.00000
Sr6 Sr 0.74517 0.74517 0.74517 1.00000
Sr7 Sr 0.25483 0.24517 0.75483 1.00000
Sr8 Sr 0.24517 0.75483 0.25483 1.00000
Sn1 Sn 0.31233 0.31233 0.31233 1.00000
Sn2 Sn 0.18767 0.68767 0.81233 1.00000
Sn3 Sn 0.68767 0.81233 0.18767 1.00000
Sn4 Sn 0.81233 0.18767 0.68767 1.00000
Sn5 Sn 0.56233 0.06233 0.43767 1.00000
Sn6 Sn 0.93767 0.93767 0.93767 1.00000
Sn7 Sn 0.06233 0.43767 0.56233 1.00000
Sn8 Sn 0.43767 0.56233 0.06233 1.00000
S1 S 0.62500 0.79686 0.45314 1.00000
S2 S 0.87500 0.20314 0.95314 1.00000
S3 S 0.37500 0.29686 0.04686 1.00000
S4 S 0.12500 0.70314 0.54686 1.00000
S5 S 0.45314 0.62500 0.79686 1.00000
S6 S 0.95314 0.87500 0.20314 1.00000
S7 S 0.04686 0.37500 0.29686 1.00000
S8 S 0.54686 0.12500 0.70314 1.00000
S9 S 0.79686 0.45314 0.62500 1.00000
S10 S 0.20314 0.95314 0.87500 1.00000
S11 S 0.29686 0.04686 0.37500 1.00000
S12 S 0.70314 0.54686 0.12500 1.00000
O1 O 0.62500 0.02622 0.22378 1.00000
O2 O 0.87500 0.97378 0.72378 1.00000
O3 O 0.37500 0.52622 0.27622 1.00000
O4 O 0.12500 0.47378 0.77622 1.00000
O5 O 0.22378 0.62500 0.02622 1.00000
O6 O 0.72378 0.87500 0.97378 1.00000
O7 O 0.27622 0.37500 0.52622 1.00000
O8 O 0.77622 0.12500 0.47378 1.00000
O9 O 0.02622 0.22378 0.62500 1.00000
O10 O 0.97378 0.72378 0.87500 1.00000
O11 O 0.52622 0.27622 0.37500 1.00000
O12 O 0.47378 0.77622 0.12500 1.00000
