K2UAuS5
Alexandria ALEXAlex-ID: agm005158994 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_211_spg36
K2US4 KAuS5 KUS3 KAu3S2
2023-01-19 13:53:39.862774
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005158994).
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 agm005158994
data_agm005158994
_cell_length_a 3.98146
_cell_length_b 9.79052
_cell_length_c 13.21641
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 101.73190
_cell_volume 504.42072
_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
K1 K 0.87904 0.75808 0.82631 1.00000
K2 K 0.11621 0.23243 0.68891 1.00000
K3 K 0.12096 0.24192 0.32631 1.00000
K4 K 0.88379 0.76757 0.18891 1.00000
U1 U 0.79422 0.58844 0.51292 1.00000
U2 U 0.20578 0.41156 0.01292 1.00000
Au1 Au 0.56136 0.12272 0.93569 1.00000
Au2 Au 0.43864 0.87728 0.43569 1.00000
S1 S 0.33281 0.66562 0.01161 1.00000
S2 S 0.70722 0.41445 0.88363 1.00000
S3 S 0.50420 0.00841 0.78202 1.00000
S4 S 0.29360 0.58721 0.64013 1.00000
S5 S 0.92718 0.85435 0.54274 1.00000
S6 S 0.66719 0.33438 0.51161 1.00000
S7 S 0.29278 0.58555 0.38363 1.00000
S8 S 0.49580 0.99159 0.28202 1.00000
S9 S 0.70640 0.41279 0.14013 1.00000
S10 S 0.07282 0.14565 0.04274 1.00000
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