U2S3
Alexandria ALEXAlex-ID: agm005279488 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_30_spg62
U2S3
2022-12-01 09:22:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005279488).
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 agm005279488
data_agm005279488
_cell_length_a 3.79124
_cell_length_b 10.46743
_cell_length_c 10.49967
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 416.67456
_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
S1 S 0.25000 0.86930 0.05210 1.00000
S2 S 0.75000 0.13070 0.94790 1.00000
S3 S 0.75000 0.36930 0.44790 1.00000
S4 S 0.25000 0.63070 0.55210 1.00000
S5 S 0.25000 0.55422 0.87303 1.00000
S6 S 0.75000 0.44578 0.12697 1.00000
S7 S 0.75000 0.05422 0.62697 1.00000
S8 S 0.25000 0.94578 0.37303 1.00000
S9 S 0.25000 0.20478 0.22566 1.00000
S10 S 0.75000 0.79522 0.77434 1.00000
S11 S 0.75000 0.70478 0.27434 1.00000
S12 S 0.25000 0.29522 0.72566 1.00000
U1 U 0.25000 0.31753 0.98909 1.00000
U2 U 0.75000 0.68247 0.01091 1.00000
U3 U 0.75000 0.81753 0.51091 1.00000
U4 U 0.25000 0.18247 0.48909 1.00000
U5 U 0.25000 0.51064 0.31390 1.00000
U6 U 0.75000 0.48936 0.68610 1.00000
U7 U 0.75000 0.01064 0.18610 1.00000
U8 U 0.25000 0.98936 0.81390 1.00000
Get direct link