NaLaS14
Alexandria ALEXAlex-ID: agm005756320 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_94_spg15
NaS9 LaS2 LaS10
2023-07-19 06:15:54.896974
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756320).
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 agm005756320
data_agm005756320
_cell_length_a 13.24678
_cell_length_b 10.24942
_cell_length_c 10.24942
_cell_angle_alpha 55.66361
_cell_angle_beta 60.93079
_cell_angle_gamma 60.93078
_cell_volume 960.11294
_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 0.25000 0.28359 0.21641 1.00000
Na2 Na 0.75000 0.71641 0.78359 1.00000
La1 La 0.50000 0.00000 0.50000 1.00000
La2 La 0.00000 0.00000 0.50000 1.00000
S1 S 0.67067 0.27464 0.34996 1.00000
S2 S 0.32933 0.72536 0.65004 1.00000
S3 S 0.17067 0.84996 0.77464 1.00000
S4 S 0.82933 0.15004 0.22536 1.00000
S5 S 0.07015 0.22289 0.51497 1.00000
S6 S 0.92985 0.77711 0.48503 1.00000
S7 S 0.57015 0.01497 0.72289 1.00000
S8 S 0.42985 0.98503 0.27711 1.00000
S9 S 0.17363 0.08837 0.67848 1.00000
S10 S 0.82637 0.91163 0.32152 1.00000
S11 S 0.67363 0.17848 0.58837 1.00000
S12 S 0.32637 0.82152 0.41163 1.00000
S13 S 0.85110 0.50870 0.15576 1.00000
S14 S 0.56894 0.47368 0.80421 1.00000
S15 S 0.35110 0.65576 0.00870 1.00000
S16 S 0.06894 0.30421 0.97368 1.00000
S17 S 0.14890 0.49130 0.84424 1.00000
S18 S 0.43106 0.52632 0.19579 1.00000
S19 S 0.64890 0.34424 0.99130 1.00000
S20 S 0.93106 0.69579 0.02632 1.00000
S21 S 0.38409 0.87471 0.88064 1.00000
S22 S 0.15401 0.13229 0.14774 1.00000
S23 S 0.88409 0.38064 0.37471 1.00000
S24 S 0.65401 0.64774 0.63229 1.00000
S25 S 0.61591 0.12529 0.11936 1.00000
S26 S 0.84599 0.86771 0.85226 1.00000
S27 S 0.11591 0.61936 0.62529 1.00000
S28 S 0.34599 0.35226 0.36771 1.00000
