Sr2UHgS5
Alexandria ALEXAlex-ID: agm005159853 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_220_spg36
SrHgS2 Sr5(US4)3 Hg HgS
2023-01-19 13:53:23.871031
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005159853).
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 agm005159853
data_agm005159853
_cell_length_a 4.08306
_cell_length_b 9.03260
_cell_length_c 12.63367
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.06275
_cell_volume 453.88083
_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 0.87295 0.74590 0.81050 1.00000
Sr2 Sr 0.10812 0.21623 0.68226 1.00000
Sr3 Sr 0.12705 0.25410 0.31050 1.00000
Sr4 Sr 0.89188 0.78377 0.18226 1.00000
U1 U 0.78999 0.57998 0.51458 1.00000
U2 U 0.21001 0.42002 0.01458 1.00000
Hg1 Hg 0.53971 0.07943 0.95082 1.00000
Hg2 Hg 0.46029 0.92057 0.45082 1.00000
S1 S 0.36023 0.72046 0.00294 1.00000
S2 S 0.69903 0.39805 0.87074 1.00000
S3 S 0.49613 0.99225 0.76715 1.00000
S4 S 0.28416 0.56833 0.65748 1.00000
S5 S 0.94029 0.88059 0.56751 1.00000
S6 S 0.63977 0.27954 0.50294 1.00000
S7 S 0.30097 0.60195 0.37074 1.00000
S8 S 0.50387 0.00775 0.26715 1.00000
S9 S 0.71584 0.43167 0.15748 1.00000
S10 S 0.05971 0.11941 0.06751 1.00000
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