SmU2S3
Alexandria ALEXAlex-ID: agm005649502 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_35_spg14
Sm5S6 US U2S
2023-08-25 05:26:49.042658
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005649502).
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 agm005649502
data_agm005649502
_cell_length_a 5.54097
_cell_length_b 7.81121
_cell_length_c 11.74761
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.88925
_cell_volume 508.45544
_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
Sm1 Sm 0.24964 0.87393 0.08002 1.00000
Sm2 Sm 0.24964 0.37393 0.41998 1.00000
Sm3 Sm 0.75036 0.62607 0.58002 1.00000
Sm4 Sm 0.75036 0.12607 0.91998 1.00000
U1 U 0.25107 0.87563 0.75307 1.00000
U2 U 0.25107 0.37563 0.74693 1.00000
U3 U 0.24936 0.87758 0.41582 1.00000
U4 U 0.24936 0.37758 0.08418 1.00000
U5 U 0.75064 0.62242 0.91582 1.00000
U6 U 0.75064 0.12242 0.58418 1.00000
U7 U 0.74893 0.62437 0.25307 1.00000
U8 U 0.74893 0.12437 0.24693 1.00000
S1 S 0.25036 0.63199 0.58529 1.00000
S2 S 0.25036 0.13199 0.91471 1.00000
S3 S 0.25070 0.61959 0.91368 1.00000
S4 S 0.25070 0.11959 0.58632 1.00000
S5 S 0.24889 0.62571 0.25161 1.00000
S6 S 0.24889 0.12571 0.24839 1.00000
S7 S 0.75111 0.87429 0.75161 1.00000
S8 S 0.75111 0.37429 0.74839 1.00000
S9 S 0.74930 0.88041 0.41368 1.00000
S10 S 0.74930 0.38041 0.08632 1.00000
S11 S 0.74964 0.86801 0.08529 1.00000
S12 S 0.74964 0.36801 0.41471 1.00000
