Na2Sn4S9
Alexandria ALEXAlex-ID: agm005641834 · Space group: P-3c1 (#165)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C9_0_spg9
Na2SnS3 SnS2
2023-06-15 11:30:31.432929
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641834).
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 agm005641834
data_agm005641834
_cell_length_a 6.67678
_cell_length_b 6.67664
_cell_length_c 18.03977
_cell_angle_alpha 89.96637
_cell_angle_beta 89.98314
_cell_angle_gamma 60.00307
_cell_volume 696.46576
_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 0.99943 0.00026 0.35160 1.00000
Na2 Na 0.99941 0.99989 0.14839 1.00000
Na3 Na 0.00057 0.99974 0.64840 1.00000
Na4 Na 0.00059 0.00011 0.85161 1.00000
Sn1 Sn 0.33346 0.33335 0.98200 1.00000
Sn2 Sn 0.33321 0.33331 0.48204 1.00000
Sn3 Sn 0.66654 0.66665 0.01800 1.00000
Sn4 Sn 0.33267 0.33336 0.18744 1.00000
Sn5 Sn 0.66679 0.66669 0.51796 1.00000
Sn6 Sn 0.66600 0.66661 0.31259 1.00000
Sn7 Sn 0.33400 0.33339 0.68741 1.00000
Sn8 Sn 0.66733 0.66664 0.81256 1.00000
S1 S 0.00030 0.32238 0.74984 1.00000
S2 S 0.32275 0.67770 0.75008 1.00000
S3 S 0.67837 0.00022 0.75007 1.00000
S4 S 0.99970 0.67762 0.25016 1.00000
S5 S 0.67725 0.32230 0.24992 1.00000
S6 S 0.32163 0.99978 0.24993 1.00000
S7 S 0.65553 0.96238 0.42006 1.00000
S8 S 0.96199 0.38181 0.42019 1.00000
S9 S 0.38157 0.65617 0.42014 1.00000
S10 S 0.61782 0.03772 0.07991 1.00000
S11 S 0.34373 0.61815 0.07985 1.00000
S12 S 0.03770 0.34389 0.07985 1.00000
S13 S 0.34447 0.03762 0.57994 1.00000
S14 S 0.03801 0.61819 0.57981 1.00000
S15 S 0.61843 0.34383 0.57986 1.00000
S16 S 0.38218 0.96228 0.92009 1.00000
S17 S 0.65627 0.38185 0.92015 1.00000
S18 S 0.96230 0.65611 0.92015 1.00000
