NaS4N
Alexandria ALEXAlex-ID: agm005776779 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3191_spg15
NaS6 Na2S5 SN
2023-07-30 22:26:19.560100
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005776779).
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 agm005776779
data_agm005776779
_cell_length_a 6.04932
_cell_length_b 15.93106
_cell_length_c 8.71965
_cell_angle_alpha 155.99581
_cell_angle_beta 81.90052
_cell_angle_gamma 89.99994
_cell_volume 320.69169
_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 0.50000 0.00000 0.50000 1.00000
Na2 Na 0.00000 0.50000 0.50000 1.00000
S1 S 0.99631 0.92467 0.24947 1.00000
S2 S 0.49631 0.32481 0.24947 1.00000
S3 S 0.08004 0.53180 0.15556 1.00000
S4 S 0.58004 0.62375 0.15556 1.00000
S5 S 0.91996 0.46820 0.84444 1.00000
S6 S 0.41996 0.37625 0.84444 1.00000
S7 S 0.00369 0.07533 0.75053 1.00000
S8 S 0.50369 0.67519 0.75053 1.00000
N1 N 0.75000 0.15224 1.00000 1.00000
N2 N 0.25000 0.84776 0.00000 1.00000
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