K2UGeS5
Alexandria ALEXAlex-ID: agm005149457 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_217_spg36
K2GeS3 KU2S5 K2Ge2S5 Ge
2023-01-19 13:53:38.830790
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005149457).
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 agm005149457
data_agm005149457
_cell_length_a 4.17970
_cell_length_b 9.34550
_cell_length_c 13.63379
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.92182
_cell_volume 519.06882
_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 0.87462 0.74925 0.82926 1.00000
K2 K 0.11100 0.22200 0.67547 1.00000
K3 K 0.12538 0.25075 0.32926 1.00000
K4 K 0.88900 0.77800 0.17547 1.00000
U1 U 0.79574 0.59149 0.53043 1.00000
U2 U 0.20426 0.40851 0.03043 1.00000
Ge1 Ge 0.55883 0.11766 0.92900 1.00000
Ge2 Ge 0.44117 0.88234 0.42900 1.00000
S1 S 0.33790 0.67580 0.00692 1.00000
S2 S 0.68803 0.37607 0.89851 1.00000
S3 S 0.50531 0.01062 0.78698 1.00000
S4 S 0.29748 0.59495 0.65145 1.00000
S5 S 0.94840 0.89679 0.51596 1.00000
S6 S 0.66210 0.32420 0.50692 1.00000
S7 S 0.31197 0.62393 0.39851 1.00000
S8 S 0.49469 0.98938 0.28698 1.00000
S9 S 0.70252 0.40505 0.15145 1.00000
S10 S 0.05160 0.10321 0.01596 1.00000
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