US9
Alexandria ALEXAlex-ID: agm065354599 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB9_42_spg2
US9
2024-12-20 13:00:45.253118
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm065354599).
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 agm065354599
data_agm065354599
_cell_length_a 5.14072
_cell_length_b 8.82735
_cell_length_c 9.47387
_cell_angle_alpha 117.92226
_cell_angle_beta 67.95457
_cell_angle_gamma 101.05508
_cell_volume 352.02463
_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 0.00609 0.90803 0.89246 1.00000
S1 S 0.02776 0.24896 0.33251 1.00000
S2 S 0.89280 0.63393 0.93906 1.00000
S3 S 0.84052 0.23463 0.15773 1.00000
S4 S 0.16735 0.86696 0.57329 1.00000
S5 S 0.12478 0.23400 0.94060 1.00000
S6 S 0.88973 0.46477 0.54879 1.00000
S7 S 0.23707 0.64529 0.56697 1.00000
S8 S 0.79517 0.85224 0.15801 1.00000
S9 S 0.50842 0.91119 0.89059 1.00000
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