Na3(LaS2)2
Alexandria ALEXAlex-ID: agm005693531 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_352_spg164
NaLa3S4 NaLaS2 Na2S
2023-06-27 11:20:36.435131
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693531).
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
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# CIF generated by HEAS from Alexandria entry agm005693531
data_agm005693531
_cell_length_a 4.20183
_cell_length_b 4.20183
_cell_length_c 16.64839
_cell_angle_alpha 90.02879
_cell_angle_beta 89.97121
_cell_angle_gamma 120.00245
_cell_volume 254.54717
_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 0.66608 0.33392 0.40027 1.00000
Na2 Na 0.00000 0.00000 0.00000 1.00000
Na3 Na 0.33392 0.66608 0.59973 1.00000
La1 La 0.66725 0.33275 0.79926 1.00000
La2 La 0.33275 0.66725 0.20074 1.00000
S1 S 0.33374 0.66626 0.89329 1.00000
S2 S 0.99935 0.00065 0.29691 1.00000
S3 S 0.00065 0.99935 0.70309 1.00000
S4 S 0.66626 0.33374 0.10671 1.00000
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