LaU2S5
Alexandria ALEXAlex-ID: agm005284977 · Space group: Pna2_1 (#33)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_1389_spg62
US2 La2US5 U2S3
2024-10-08 17:34:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005284977).
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 agm005284977
data_agm005284977
_cell_length_a 7.46182
_cell_length_b 8.06060
_cell_length_c 11.85090
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 712.79272
_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 0.02702 0.49866 0.82370 1.00000
La2 La 0.97298 0.99866 0.17630 1.00000
La3 La 0.52702 0.99866 0.67630 1.00000
La4 La 0.47298 0.49866 0.32370 1.00000
U1 U 0.57251 0.25061 0.99233 1.00000
U2 U 0.92749 0.25061 0.49233 1.00000
U3 U 0.42749 0.75061 0.00767 1.00000
U4 U 0.07251 0.75061 0.50767 1.00000
U5 U 0.48079 0.00099 0.32009 1.00000
U6 U 0.51921 0.50099 0.67991 1.00000
U7 U 0.98079 0.50099 0.17991 1.00000
U8 U 0.01921 0.00099 0.82009 1.00000
S1 S 0.34628 0.04140 0.10068 1.00000
S2 S 0.17165 0.45619 0.59259 1.00000
S3 S 0.65372 0.54140 0.89932 1.00000
S4 S 0.82835 0.95619 0.40741 1.00000
S5 S 0.67165 0.95619 0.90741 1.00000
S6 S 0.84628 0.54140 0.39932 1.00000
S7 S 0.32835 0.45619 0.09259 1.00000
S8 S 0.15372 0.04140 0.60068 1.00000
S9 S 0.95649 0.25208 0.99872 1.00000
S10 S 0.54351 0.25208 0.49872 1.00000
S11 S 0.04351 0.75208 0.00128 1.00000
S12 S 0.45649 0.75208 0.50128 1.00000
S13 S 0.69799 0.25144 0.21503 1.00000
S14 S 0.80201 0.25144 0.71503 1.00000
S15 S 0.30201 0.75144 0.78497 1.00000
S16 S 0.19799 0.75144 0.28497 1.00000
S17 S 0.33173 0.24862 0.81248 1.00000
S18 S 0.16827 0.24862 0.31248 1.00000
S19 S 0.66827 0.74862 0.18752 1.00000
S20 S 0.83173 0.74862 0.68752 1.00000
