Sc2(SnS)3
Alexandria ALEXAlex-ID: agm009079099 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_1478_spg71
Sc2S3 Sn
2024-06-27 22:01:25.176141
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009079099).
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 agm009079099
data_agm009079099
_cell_length_a 10.96558
_cell_length_b 10.96558
_cell_length_c 10.96558
_cell_angle_alpha 153.62797
_cell_angle_beta 159.97327
_cell_angle_gamma 33.33606
_cell_volume 200.40460
_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
Sc1 Sc 0.28358 0.28358 0.00000 1.00000
Sc2 Sc 0.71642 0.71642 0.00000 1.00000
Sn1 Sn 0.90400 0.40400 0.50000 1.00000
Sn2 Sn 0.00000 0.00000 0.00000 1.00000
Sn3 Sn 0.09600 0.59600 0.50000 1.00000
S1 S 0.29620 0.79620 0.50000 1.00000
S2 S 0.70380 0.20380 0.50000 1.00000
S3 S 0.50000 0.50000 0.00000 1.00000
Get direct link