Na2Sb8S13O2
Alexandria ALEXAlex-ID: agm005224724 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C8D13_3_spg8
NaSbS2 Na2SO4 Sb2S3
2023-05-10 14:37:38.882800
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005224724).
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 agm005224724
data_agm005224724
_cell_length_a 12.97644
_cell_length_b 12.97644
_cell_length_c 7.55055
_cell_angle_alpha 75.83355
_cell_angle_beta 75.83355
_cell_angle_gamma 135.15288
_cell_volume 687.74725
_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 0.54246 0.37622 0.05074 1.00000
Na2 Na 0.37622 0.54246 0.05074 1.00000
Sb1 Sb 0.25631 0.74966 0.96658 1.00000
Sb2 Sb 0.74966 0.25631 0.96658 1.00000
Sb3 Sb 0.17893 0.99853 0.79086 1.00000
Sb4 Sb 0.99853 0.17893 0.79086 1.00000
Sb5 Sb 0.35735 0.69283 0.51107 1.00000
Sb6 Sb 0.69283 0.35735 0.51107 1.00000
Sb7 Sb 0.75917 0.09426 0.51113 1.00000
Sb8 Sb 0.09426 0.75917 0.51113 1.00000
S1 S 0.50057 0.15084 0.94584 1.00000
S2 S 0.15084 0.50057 0.94584 1.00000
S3 S 0.64798 0.86268 0.45051 1.00000
S4 S 0.86268 0.64798 0.45051 1.00000
S5 S 0.52547 0.87448 0.94592 1.00000
S6 S 0.87448 0.52547 0.94592 1.00000
S7 S 0.43024 0.97301 0.55904 1.00000
S8 S 0.97301 0.43024 0.55904 1.00000
S9 S 0.48461 0.33484 0.50842 1.00000
S10 S 0.33484 0.48461 0.50842 1.00000
S11 S 0.12116 0.97108 0.50651 1.00000
S12 S 0.97108 0.12116 0.50651 1.00000
S13 S 0.98978 0.98978 0.99212 1.00000
O1 O 0.58246 0.58246 0.03428 1.00000
O2 O 0.35867 0.35867 0.02371 1.00000
