SrUS2
Alexandria ALEXAlex-ID: agm005283680 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_8760_spg122
US SrS
2023-05-07 10:59:40.637188
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005283680).
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 agm005283680
data_agm005283680
_cell_length_a 9.13490
_cell_length_b 9.13490
_cell_length_c 9.13490
_cell_angle_alpha 127.55682
_cell_angle_beta 127.55682
_cell_angle_gamma 77.34407
_cell_volume 464.74372
_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
Sr1 Sr 0.87500 0.23322 0.85822 1.00000
Sr2 Sr 0.76678 0.62500 0.64178 1.00000
Sr3 Sr 0.37500 0.01678 0.14178 1.00000
Sr4 Sr 0.98322 0.12500 0.35822 1.00000
U1 U 0.28260 0.62500 0.15760 1.00000
U2 U 0.46740 0.12500 0.84240 1.00000
U3 U 0.87500 0.71740 0.34240 1.00000
U4 U 0.37500 0.53260 0.65760 1.00000
S1 S 0.93028 0.63475 0.04271 1.00000
S2 S 0.38475 0.18028 0.54271 1.00000
S3 S 0.63757 0.84204 0.45729 1.00000
S4 S 0.36525 0.40796 0.29553 1.00000
S5 S 0.59204 0.88757 0.95729 1.00000
S6 S 0.15796 0.61525 0.79553 1.00000
S7 S 0.11243 0.06972 0.70447 1.00000
S8 S 0.81972 0.36243 0.20447 1.00000
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