Na(La2S3)4
Alexandria ALEXAlex-ID: agm008302010 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB8C12_3_spg122
NaLa5S8 NaLa3S4 La2S3
2025-01-30 08:58:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008302010).
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 agm008302010
data_agm008302010
_cell_length_a 14.50458
_cell_length_b 14.50458
_cell_length_c 14.50458
_cell_angle_alpha 144.91687
_cell_angle_beta 144.91687
_cell_angle_gamma 50.45842
_cell_volume 1003.03607
_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 0.75000 0.50000 1.00000
Na2 Na 0.50000 0.50000 0.00000 1.00000
La1 La 0.53580 0.15601 0.11214 1.00000
La2 La 0.25439 0.12500 0.62939 1.00000
La3 La 0.83415 0.83415 0.00000 1.00000
La4 La 0.49561 0.62500 0.37061 1.00000
La5 La 0.04387 0.42366 0.88786 1.00000
La6 La 0.91585 0.41585 0.50000 1.00000
La7 La 0.21420 0.82634 0.12021 1.00000
La8 La 0.90601 0.78580 0.61214 1.00000
La9 La 0.17366 0.29387 0.38786 1.00000
La10 La 0.70613 0.09399 0.87979 1.00000
La11 La 0.58415 0.08415 0.50000 1.00000
La12 La 0.87500 0.50439 0.12939 1.00000
La13 La 0.57634 0.46420 0.62021 1.00000
La14 La 0.16585 0.16585 0.00000 1.00000
La15 La 0.84399 0.95613 0.37979 1.00000
La16 La 0.37500 0.74561 0.87061 1.00000
S1 S 0.90730 0.65766 0.09697 1.00000
S2 S 0.34234 0.43931 0.24964 1.00000
S3 S 0.56069 0.81034 0.90303 1.00000
S4 S 0.53376 0.92704 0.75316 1.00000
S5 S 0.17389 0.78061 0.24684 1.00000
S6 S 0.74294 0.49210 0.60183 1.00000
S7 S 0.18966 0.09270 0.75036 1.00000
S8 S 0.57611 0.32296 0.10672 1.00000
S9 S 0.89027 0.14111 0.39817 1.00000
S10 S 0.00706 0.10889 0.24916 1.00000
S11 S 0.21624 0.46939 0.89328 1.00000
S12 S 0.18931 0.59234 0.74964 1.00000
S13 S 0.84270 0.43966 0.25036 1.00000
S14 S 0.85973 0.75790 0.75084 1.00000
S15 S 0.40766 0.15730 0.59697 1.00000
S16 S 0.24210 0.99294 0.10183 1.00000
S17 S 0.56034 0.81069 0.40303 1.00000
S18 S 0.67704 0.78376 0.25316 1.00000
S19 S 0.89111 0.14027 0.89817 1.00000
S20 S 0.85889 0.25706 0.74916 1.00000
S21 S 0.50790 0.10973 0.25084 1.00000
S22 S 0.07296 0.82611 0.60672 1.00000
S23 S 0.53061 0.42389 0.74684 1.00000
S24 S 0.21939 0.46624 0.39328 1.00000
