LaPr(SmS2)4
Alexandria ALEXAlex-ID: agm004920522 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D8_5_spg160
PrSmS3 LaSmS3 Sm5S6 Pr2(SmS2)3
2022-07-02 16:13:41.082881
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004920522).
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 agm004920522
data_agm004920522
_cell_length_a 8.29469
_cell_length_b 8.29469
_cell_length_c 8.32880
_cell_angle_alpha 60.13536
_cell_angle_beta 60.13536
_cell_angle_gamma 60.00000
_cell_volume 406.02544
_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 0.37432 0.37432 0.87703 1.00000
Pr1 Pr 0.99924 0.99924 0.00227 1.00000
Sm1 Sm 0.62557 0.62557 0.12328 1.00000
Sm2 Sm 0.99927 0.50241 0.49905 1.00000
Sm3 Sm 0.50241 0.99927 0.49905 1.00000
Sm4 Sm 0.99927 0.99927 0.49905 1.00000
S1 S 0.24315 0.77951 0.73420 1.00000
S2 S 0.77951 0.24315 0.73420 1.00000
S3 S 0.24315 0.24315 0.73420 1.00000
S4 S 0.23899 0.23899 0.28302 1.00000
S5 S 0.75325 0.23105 0.26245 1.00000
S6 S 0.23105 0.75325 0.26245 1.00000
S7 S 0.75325 0.75325 0.26245 1.00000
S8 S 0.75757 0.75757 0.72728 1.00000
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