Y3SnS2
Alexandria ALEXAlex-ID: agm005803070 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1011_spg74
Y5Sn3S Y5S6 YSn2
2023-08-25 03:41:14.410920
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803070).
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 agm005803070
data_agm005803070
_cell_length_a 8.92931
_cell_length_b 7.86077
_cell_length_c 7.86077
_cell_angle_alpha 54.18681
_cell_angle_beta 55.39145
_cell_angle_gamma 55.39144
_cell_volume 344.55186
_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
Y1 Y 1.00000 0.73100 0.26900 1.00000
Y2 Y 0.00000 0.26900 0.73100 1.00000
Y3 Y 0.50000 0.76900 0.23100 1.00000
Y4 Y 0.50000 0.00000 0.50000 1.00000
Y5 Y 0.50000 0.50000 0.00000 1.00000
Y6 Y 0.50000 0.23100 0.76900 1.00000
Sn1 Sn 0.19584 0.25000 0.25000 1.00000
Sn2 Sn 0.80416 0.75000 0.75000 1.00000
S1 S 0.26028 0.94235 0.94235 1.00000
S2 S 0.35501 0.44235 0.44235 1.00000
S3 S 0.64499 0.55765 0.55765 1.00000
S4 S 0.73972 0.05765 0.05765 1.00000
Get direct link