CsNaS14
Alexandria ALEXAlex-ID: agm005756268 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_92_spg15
NaS6 Na2S5 CsS10
2023-07-19 07:54:30.413409
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756268).
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 agm005756268
data_agm005756268
_cell_length_a 16.74672
_cell_length_b 12.16260
_cell_length_c 12.16275
_cell_angle_alpha 52.43382
_cell_angle_beta 38.52900
_cell_angle_gamma 38.52958
_cell_volume 961.25238
_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
Cs1 Cs 0.25000 0.41845 0.08155 1.00000
Cs2 Cs 0.75000 0.58155 0.91845 1.00000
Na1 Na 0.50000 0.00000 0.50000 1.00000
Na2 Na 0.00000 0.00000 0.50000 1.00000
S1 S 0.64842 0.24198 0.45200 1.00000
S2 S 0.35158 0.75802 0.54800 1.00000
S3 S 0.14841 0.95200 0.74198 1.00000
S4 S 0.85159 0.04800 0.25802 1.00000
S5 S 0.13575 0.31628 0.53317 1.00000
S6 S 0.86425 0.68372 0.46683 1.00000
S7 S 0.63575 0.03317 0.81628 1.00000
S8 S 0.36425 0.96683 0.18372 1.00000
S9 S 0.18876 0.10620 0.69270 1.00000
S10 S 0.81124 0.89380 0.30730 1.00000
S11 S 0.68875 0.19270 0.60620 1.00000
S12 S 0.31125 0.80730 0.39380 1.00000
S13 S 0.84419 0.45658 0.25267 1.00000
S14 S 0.67840 0.32980 0.81016 1.00000
S15 S 0.34418 0.75267 0.95658 1.00000
S16 S 0.17840 0.31016 0.82980 1.00000
S17 S 0.15581 0.54342 0.74733 1.00000
S18 S 0.32160 0.67020 0.18984 1.00000
S19 S 0.65582 0.24733 0.04342 1.00000
S20 S 0.82160 0.68984 0.17020 1.00000
S21 S 0.54228 0.74393 0.76909 1.00000
S22 S 0.26126 0.16193 0.96742 1.00000
S23 S 0.04228 0.26909 0.24393 1.00000
S24 S 0.76126 0.46742 0.66193 1.00000
S25 S 0.45772 0.25607 0.23091 1.00000
S26 S 0.73874 0.83807 0.03258 1.00000
S27 S 0.95772 0.73091 0.75607 1.00000
S28 S 0.23874 0.53258 0.33807 1.00000
