K2UInS5
Alexandria ALEXAlex-ID: agm005159769 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_210_spg36
KUS3 KInS2
2023-01-19 13:53:28.478957
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005159769).
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 agm005159769
data_agm005159769
_cell_length_a 4.08553
_cell_length_b 9.40491
_cell_length_c 14.13074
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.54477
_cell_volume 529.99815
_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 0.87312 0.74623 0.81908 1.00000
K2 K 0.09697 0.19395 0.66740 1.00000
K3 K 0.12688 0.25377 0.31908 1.00000
K4 K 0.90303 0.80605 0.16740 1.00000
U1 U 0.78303 0.56606 0.52868 1.00000
U2 U 0.21697 0.43394 0.02868 1.00000
In1 In 0.56272 0.12543 0.92987 1.00000
In2 In 0.43728 0.87457 0.42987 1.00000
S1 S 0.34882 0.69764 0.00416 1.00000
S2 S 0.70338 0.40676 0.90320 1.00000
S3 S 0.50128 0.00257 0.78432 1.00000
S4 S 0.28237 0.56473 0.64713 1.00000
S5 S 0.93390 0.86779 0.54012 1.00000
S6 S 0.65118 0.30236 0.50416 1.00000
S7 S 0.29662 0.59324 0.40320 1.00000
S8 S 0.49872 0.99743 0.28432 1.00000
S9 S 0.71763 0.43527 0.14713 1.00000
S10 S 0.06610 0.13221 0.04012 1.00000
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