Sr2UHS5
Alexandria ALEXAlex-ID: agm005158309 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_248_spg36
Sr5(US4)3 H2S5 H2S SrS
2023-03-28 19:32:32.314421
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005158309).
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 agm005158309
data_agm005158309
_cell_length_a 4.08977
_cell_length_b 8.80943
_cell_length_c 12.16270
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.42219
_cell_volume 426.23568
_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 0.87331 0.74661 0.82447 1.00000
Sr2 Sr 0.10846 0.21692 0.68800 1.00000
Sr3 Sr 0.12669 0.25339 0.32447 1.00000
Sr4 Sr 0.89154 0.78308 0.18800 1.00000
U1 U 0.80192 0.60385 0.52146 1.00000
U2 U 0.19808 0.39615 0.02146 1.00000
H1 H 0.52747 0.05493 0.89095 1.00000
H2 H 0.47253 0.94507 0.39095 1.00000
S1 S 0.35114 0.70228 0.01082 1.00000
S2 S 0.69361 0.38722 0.87742 1.00000
S3 S 0.49874 0.99748 0.78684 1.00000
S4 S 0.28859 0.57719 0.66606 1.00000
S5 S 0.94194 0.88389 0.55795 1.00000
S6 S 0.64886 0.29772 0.51082 1.00000
S7 S 0.30639 0.61278 0.37742 1.00000
S8 S 0.50126 0.00252 0.28684 1.00000
S9 S 0.71141 0.42281 0.16606 1.00000
S10 S 0.05806 0.11611 0.05795 1.00000
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