HoU2S3
Alexandria ALEXAlex-ID: agm005649994 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_768_spg14
US Ho5S6 U2S
2023-08-25 05:12:37.871943
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005649994).
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 agm005649994
data_agm005649994
_cell_length_a 5.47418
_cell_length_b 7.72062
_cell_length_c 11.62402
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.89784
_cell_volume 491.27759
_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
Ho1 Ho 0.24952 0.87369 0.08260 1.00000
Ho2 Ho 0.24952 0.37369 0.41740 1.00000
Ho3 Ho 0.75048 0.62631 0.58260 1.00000
Ho4 Ho 0.75048 0.12631 0.91740 1.00000
U1 U 0.25129 0.87611 0.75061 1.00000
U2 U 0.25129 0.37611 0.74939 1.00000
U3 U 0.24932 0.87754 0.41646 1.00000
U4 U 0.24932 0.37754 0.08354 1.00000
U5 U 0.75068 0.62246 0.91646 1.00000
U6 U 0.75068 0.12246 0.58354 1.00000
U7 U 0.74871 0.62389 0.25061 1.00000
U8 U 0.74871 0.12389 0.24939 1.00000
S1 S 0.25048 0.62517 0.58218 1.00000
S2 S 0.25048 0.12517 0.91782 1.00000
S3 S 0.25071 0.62660 0.91671 1.00000
S4 S 0.25071 0.12660 0.58329 1.00000
S5 S 0.24863 0.62568 0.25158 1.00000
S6 S 0.24863 0.12568 0.24842 1.00000
S7 S 0.75137 0.87432 0.75158 1.00000
S8 S 0.75137 0.37432 0.74842 1.00000
S9 S 0.74929 0.87340 0.41671 1.00000
S10 S 0.74929 0.37340 0.08329 1.00000
S11 S 0.74952 0.87483 0.08218 1.00000
S12 S 0.74952 0.37483 0.41782 1.00000
