NaSnS2
Alexandria ALEXAlex-ID: agm005682022 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_9267_spg8
Na2SnS3 SnS
2023-07-12 08:06:44.181728
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005682022).
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 agm005682022
data_agm005682022
_cell_length_a 3.60231
_cell_length_b 8.19006
_cell_length_c 7.14425
_cell_angle_alpha 80.01170
_cell_angle_beta 75.47826
_cell_angle_gamma 77.34777
_cell_volume 197.51551
_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
Na1 Na 0.48574 0.20621 0.75162 1.00000
Na2 Na 0.24946 0.70225 0.73219 1.00000
Sn1 Sn 0.33214 0.01946 0.24981 1.00000
Sn2 Sn 0.17174 0.38540 0.20562 1.00000
S1 S 0.98650 0.94869 0.01064 1.00000
S2 S 0.51644 0.47462 0.42832 1.00000
S3 S 0.77496 0.44988 0.93392 1.00000
S4 S 0.74008 0.94339 0.51070 1.00000
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