U3S5
Alexandria ALEXAlex-ID: agm005279593 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_0_spg140
US2 U2S3
2023-05-07 11:18:58.955724
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005279593).
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 agm005279593
data_agm005279593
_cell_length_a 7.95242
_cell_length_b 7.95242
_cell_length_c 7.95242
_cell_angle_alpha 98.15590
_cell_angle_beta 98.15590
_cell_angle_gamma 135.74704
_cell_volume 325.10422
_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
U1 U 0.34365 0.84365 0.18729 1.00000
U2 U 0.65635 0.15635 0.81271 1.00000
U3 U 0.15635 0.34365 0.50000 1.00000
U4 U 0.84365 0.65635 0.50000 1.00000
U5 U 0.25000 0.25000 0.00000 1.00000
U6 U 0.75000 0.75000 0.00000 1.00000
S1 S 0.78576 0.91906 0.70483 1.00000
S2 S 0.21424 0.08094 0.29517 1.00000
S3 S 0.71424 0.41906 0.13330 1.00000
S4 S 0.28576 0.58094 0.86670 1.00000
S5 S 0.91906 0.21424 0.13330 1.00000
S6 S 0.08094 0.78576 0.86670 1.00000
S7 S 0.41906 0.28576 0.70483 1.00000
S8 S 0.58094 0.71424 0.29517 1.00000
S9 S 0.75000 0.25000 0.50000 1.00000
S10 S 0.25000 0.75000 0.50000 1.00000
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