Cs2UAuS5
Alexandria ALEXAlex-ID: agm005158987 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_219_spg36
Cs(US3)2 Cs2US4 Cs3AuS13 CsAu3S2
2023-01-19 13:53:31.798903
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005158987).
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 agm005158987
data_agm005158987
_cell_length_a 4.02997
_cell_length_b 10.64004
_cell_length_c 14.22375
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 100.91646
_cell_volume 598.86392
_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
Cs1 Cs 0.87538 0.75077 0.81645 1.00000
Cs2 Cs 0.12199 0.24398 0.69257 1.00000
Cs3 Cs 0.12462 0.24923 0.31645 1.00000
Cs4 Cs 0.87801 0.75602 0.19257 1.00000
U1 U 0.79551 0.59101 0.50844 1.00000
U2 U 0.20449 0.40899 0.00844 1.00000
Au1 Au 0.56948 0.13896 0.94180 1.00000
Au2 Au 0.43052 0.86104 0.44180 1.00000
S1 S 0.32057 0.64113 0.00607 1.00000
S2 S 0.70465 0.40930 0.88925 1.00000
S3 S 0.51101 0.02203 0.80468 1.00000
S4 S 0.29319 0.58637 0.62559 1.00000
S5 S 0.91687 0.83374 0.53912 1.00000
S6 S 0.67943 0.35887 0.50607 1.00000
S7 S 0.29535 0.59070 0.38925 1.00000
S8 S 0.48899 0.97797 0.30468 1.00000
S9 S 0.70681 0.41363 0.12559 1.00000
S10 S 0.08313 0.16626 0.03912 1.00000
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