Na14Ga2S9
Alexandria ALEXAlex-ID: agm005584530 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B9C14_0_spg147
Na2S Na3GaS3 Ga
2023-06-08 23:20:17.079710
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005584530).
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 agm005584530
data_agm005584530
_cell_length_a 7.99623
_cell_length_b 7.99623
_cell_length_c 11.17157
_cell_angle_alpha 90.00002
_cell_angle_beta 90.00000
_cell_angle_gamma 119.99997
_cell_volume 618.60805
_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 0.02618 0.67418 0.90888 1.00000
Na2 Na 0.31863 0.94588 0.59317 1.00000
Na3 Na 0.05411 0.37275 0.59317 1.00000
Na4 Na 0.00000 0.00000 0.25173 1.00000
Na5 Na 1.00000 1.00000 0.74827 1.00000
Na6 Na 0.32582 0.35200 0.90888 1.00000
Na7 Na 0.64800 0.97382 0.90888 1.00000
Na8 Na 0.37275 0.31863 0.40683 1.00000
Na9 Na 0.62725 0.68137 0.59317 1.00000
Na10 Na 0.35200 0.02618 0.09112 1.00000
Na11 Na 0.67418 0.64800 0.09112 1.00000
Na12 Na 0.94589 0.62725 0.40683 1.00000
Na13 Na 0.68137 0.05412 0.40683 1.00000
Na14 Na 0.97382 0.32582 0.09112 1.00000
Ga1 Ga 0.33333 0.66667 0.25848 1.00000
Ga2 Ga 0.66667 0.33333 0.74152 1.00000
S1 S 0.30491 0.94933 0.33727 1.00000
S2 S 0.05067 0.35558 0.33727 1.00000
S3 S 0.33333 0.66667 0.03101 1.00000
S4 S 0.00000 0.00000 0.00000 1.00000
S5 S 0.35558 0.30491 0.66273 1.00000
S6 S 0.64442 0.69509 0.33727 1.00000
S7 S 0.66667 0.33333 0.96899 1.00000
S8 S 0.94933 0.64442 0.66273 1.00000
S9 S 0.69509 0.05067 0.66273 1.00000
