SnSN
Alexandria ALEXAlex-ID: agm005608739 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_8412_spg14
SnSN
2023-06-18 04:58:39.808612
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005608739).
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 agm005608739
data_agm005608739
_cell_length_a 4.13603
_cell_length_b 8.26563
_cell_length_c 10.39992
_cell_angle_alpha 84.10857
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00004
_cell_volume 353.66317
_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
Sn1 Sn 0.75022 0.35886 0.63615 1.00000
Sn2 Sn 0.25022 0.14114 0.36385 1.00000
Sn3 Sn 0.24978 0.64114 0.36385 1.00000
Sn4 Sn 0.74978 0.85886 0.63615 1.00000
S1 S 0.75001 0.38969 0.38688 1.00000
S2 S 0.25001 0.11031 0.61312 1.00000
S3 S 0.24999 0.61031 0.61312 1.00000
S4 S 0.74999 0.88969 0.38688 1.00000
N1 N 0.41461 0.05150 0.00339 1.00000
N2 N 0.91461 0.44850 0.99661 1.00000
N3 N 0.58539 0.94850 0.99661 1.00000
N4 N 0.08539 0.55150 0.00339 1.00000
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