HoU2S5
Alexandria ALEXAlex-ID: agm005896085 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_36_spg62
US2 Ho2S3 U2S3
2023-09-05 12:34:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005896085).
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 agm005896085
data_agm005896085
_cell_length_a 7.34809
_cell_length_b 7.82426
_cell_length_c 11.74921
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 675.50218
_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 0.42290 0.25000 0.50583 1.00000
Ho2 Ho 0.57710 0.75000 0.49417 1.00000
Ho3 Ho 0.92290 0.75000 0.99417 1.00000
Ho4 Ho 0.07710 0.25000 0.00583 1.00000
U1 U 0.48653 0.50073 0.81934 1.00000
U2 U 0.51347 0.49927 0.18066 1.00000
U3 U 0.98653 0.49927 0.68066 1.00000
U4 U 0.51347 0.00073 0.18066 1.00000
U5 U 0.01347 0.50073 0.31934 1.00000
U6 U 0.48653 0.99927 0.81934 1.00000
U7 U 0.01347 0.99927 0.31934 1.00000
U8 U 0.98653 0.00073 0.68066 1.00000
S1 S 0.03462 0.25000 0.50129 1.00000
S2 S 0.96538 0.75000 0.49871 1.00000
S3 S 0.53462 0.75000 0.99871 1.00000
S4 S 0.46538 0.25000 0.00129 1.00000
S5 S 0.33781 0.95818 0.60431 1.00000
S6 S 0.66219 0.04182 0.39569 1.00000
S7 S 0.83781 0.04182 0.89569 1.00000
S8 S 0.66219 0.45818 0.39569 1.00000
S9 S 0.16219 0.95818 0.10431 1.00000
S10 S 0.33781 0.54182 0.60431 1.00000
S11 S 0.16219 0.54182 0.10431 1.00000
S12 S 0.83781 0.45818 0.89569 1.00000
S13 S 0.20396 0.25000 0.78556 1.00000
S14 S 0.79604 0.75000 0.21444 1.00000
S15 S 0.70396 0.75000 0.71444 1.00000
S16 S 0.29604 0.25000 0.28556 1.00000
S17 S 0.67671 0.25000 0.68547 1.00000
S18 S 0.32329 0.75000 0.31453 1.00000
S19 S 0.17671 0.75000 0.81453 1.00000
S20 S 0.82329 0.25000 0.18547 1.00000
