NaAg3S5
Alexandria ALEXAlex-ID: agm072569698 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1096_spg8
AgS2 Na2S5 NaAg3S2
2024-09-24 19:18:54.453663
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072569698).
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 agm072569698
data_agm072569698
_cell_length_a 4.60735
_cell_length_b 4.73879
_cell_length_c 11.32449
_cell_angle_alpha 87.27035
_cell_angle_beta 119.16549
_cell_angle_gamma 89.37710
_cell_volume 215.49357
_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 0.97612 0.60730 0.14636 1.00000
Ag1 Ag 0.76117 0.13536 0.59001 1.00000
Ag2 Ag 0.25117 0.65706 0.59085 1.00000
Ag3 Ag 0.99037 0.14839 0.37819 1.00000
S1 S 0.41154 0.50617 0.43203 1.00000
S2 S 0.50743 0.95227 0.18628 1.00000
S3 S 0.55060 0.99776 0.89415 1.00000
S4 S 0.11890 0.78265 0.76369 1.00000
S5 S 0.43269 0.21306 0.01843 1.00000
Get direct link