K2UAlS5
Alexandria ALEXAlex-ID: agm005159898 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_78_spg36
KUS3 KAlS2
2023-01-06 14:22:13.062813
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005159898).
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 agm005159898
data_agm005159898
_cell_length_a 3.99987
_cell_length_b 9.34371
_cell_length_c 14.05204
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.35927
_cell_volume 513.00492
_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 0.87756 0.75512 0.82851 1.00000
K2 K 0.09998 0.19995 0.67179 1.00000
K3 K 0.12244 0.24488 0.32851 1.00000
K4 K 0.90002 0.80005 0.17179 1.00000
U1 U 0.79148 0.58296 0.53071 1.00000
U2 U 0.20852 0.41704 0.03071 1.00000
Al1 Al 0.56808 0.13616 0.92197 1.00000
Al2 Al 0.43192 0.86384 0.42197 1.00000
S1 S 0.34108 0.68216 0.00884 1.00000
S2 S 0.69464 0.38928 0.90081 1.00000
S3 S 0.50640 0.01279 0.79292 1.00000
S4 S 0.29354 0.58708 0.65176 1.00000
S5 S 0.94096 0.88192 0.51666 1.00000
S6 S 0.65892 0.31784 0.50884 1.00000
S7 S 0.30536 0.61072 0.40081 1.00000
S8 S 0.49360 0.98721 0.29292 1.00000
S9 S 0.70646 0.41292 0.15176 1.00000
S10 S 0.05904 0.11808 0.01666 1.00000
Get direct link