Na2SnS
Alexandria ALEXAlex-ID: agm005229686 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_8722_spg2
Na2S Sn
2023-05-07 12:13:05.941249
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005229686).
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
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# CIF generated by HEAS from Alexandria entry agm005229686
data_agm005229686
_cell_length_a 6.21786
_cell_length_b 7.65776
_cell_length_c 10.19429
_cell_angle_alpha 67.63915
_cell_angle_beta 90.98310
_cell_angle_gamma 79.97830
_cell_volume 440.19551
_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 0.91202 0.03201 0.83223 1.00000
Na2 Na 0.44998 0.89162 0.86651 1.00000
Na3 Na 0.55002 0.10838 0.13349 1.00000
Na4 Na 0.00000 0.00000 0.50000 1.00000
Na5 Na 0.03613 0.49318 0.33476 1.00000
Na6 Na 0.08798 0.96799 0.16777 1.00000
Na7 Na 0.00000 0.50000 0.00000 1.00000
Na8 Na 0.96387 0.50682 0.66524 1.00000
Sn1 Sn 0.51124 0.53361 0.21723 1.00000
Sn2 Sn 0.50764 0.29214 0.54861 1.00000
Sn3 Sn 0.49236 0.70786 0.45139 1.00000
Sn4 Sn 0.48876 0.46639 0.78277 1.00000
S1 S 0.84479 0.25659 0.24227 1.00000
S2 S 0.77973 0.78640 0.09455 1.00000
S3 S 0.15521 0.74341 0.75773 1.00000
S4 S 0.22027 0.21360 0.90545 1.00000
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