LaSm2S3
Alexandria ALEXAlex-ID: agm033136647 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
LaSm4S5 LaSmS2
2025-02-28 20:24:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033136647).
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 agm033136647
data_agm033136647
_cell_length_a 13.43331
_cell_length_b 12.79972
_cell_length_c 7.04016
_cell_angle_alpha 79.46778
_cell_angle_beta 69.51786
_cell_angle_gamma 31.01436
_cell_volume 566.82891
_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
La1 La 0.91672 0.91672 0.08328 1.00000
La2 La 0.33328 0.33328 0.16672 1.00000
La3 La 0.16672 0.16672 0.33328 1.00000
La4 La 0.08328 0.08328 0.91672 1.00000
Sm1 Sm 0.00054 0.00054 0.49946 1.00000
Sm2 Sm 0.41626 0.41626 0.58374 1.00000
Sm3 Sm 0.83374 0.83374 0.66626 1.00000
Sm4 Sm 0.24946 0.24946 0.75054 1.00000
Sm5 Sm 0.75054 0.75054 0.24946 1.00000
Sm6 Sm 0.66626 0.66626 0.83374 1.00000
Sm7 Sm 0.58374 0.58374 0.41626 1.00000
Sm8 Sm 0.49946 0.49946 0.00054 1.00000
S1 S 0.66832 0.16754 0.82461 1.00000
S2 S 0.16754 0.66832 0.33954 1.00000
S3 S 0.58168 0.08246 0.42539 1.00000
S4 S 0.08246 0.58168 0.91046 1.00000
S5 S 0.50757 0.99243 0.99243 1.00000
S6 S 0.99243 0.50757 0.50757 1.00000
S7 S 0.91046 0.42539 0.08246 1.00000
S8 S 0.42539 0.91046 0.58168 1.00000
S9 S 0.33954 0.82461 0.16754 1.00000
S10 S 0.82461 0.33954 0.66832 1.00000
S11 S 0.74243 0.25757 0.25757 1.00000
S12 S 0.25757 0.74243 0.74243 1.00000
