Na2SbS6
Alexandria ALEXAlex-ID: agm097660754 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_93_spg123
NaS6 Na2S5 NaSbS2
2025-04-07 02:30:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097660754).
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 agm097660754
data_agm097660754
_cell_length_a 4.47294
_cell_length_b 6.55913
_cell_length_c 9.29448
_cell_angle_alpha 92.24046
_cell_angle_beta 116.52786
_cell_angle_gamma 92.34672
_cell_volume 243.27028
_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 0.54564 0.01233 0.93619 1.00000
Na2 Na 0.06017 0.01277 0.43331 1.00000
Sb1 Sb 0.42123 0.46640 0.23993 1.00000
S1 S 0.19316 0.61706 0.96732 1.00000
S2 S 0.85072 0.28677 0.63757 1.00000
S3 S 0.02816 0.57567 0.35040 1.00000
S4 S 0.29125 0.42899 0.80950 1.00000
S5 S 0.33990 0.10772 0.18851 1.00000
S6 S 0.76977 0.99230 0.68726 1.00000
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