K2SnGeS5
Alexandria ALEXAlex-ID: agm005149262 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_210_spg36
K2Sn2S5 K2Ge2S5
2023-01-19 13:53:38.558794
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005149262).
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 agm005149262
data_agm005149262
_cell_length_a 3.71982
_cell_length_b 10.18147
_cell_length_c 13.30311
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 100.52568
_cell_volume 495.35418
_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 0.88514 0.77029 0.80787 1.00000
K2 K 0.11622 0.23245 0.66800 1.00000
K3 K 0.11486 0.22971 0.30787 1.00000
K4 K 0.88378 0.76755 0.16800 1.00000
Sn1 Sn 0.77168 0.54335 0.53216 1.00000
Sn2 Sn 0.22832 0.45665 0.03216 1.00000
Ge1 Ge 0.56541 0.13083 0.93489 1.00000
Ge2 Ge 0.43459 0.86917 0.43489 1.00000
S1 S 0.34141 0.68283 0.98695 1.00000
S2 S 0.67859 0.35718 0.90374 1.00000
S3 S 0.51503 0.03007 0.79338 1.00000
S4 S 0.28797 0.57595 0.65919 1.00000
S5 S 0.95378 0.90756 0.53779 1.00000
S6 S 0.65859 0.31717 0.48695 1.00000
S7 S 0.32141 0.64282 0.40374 1.00000
S8 S 0.48497 0.96993 0.29338 1.00000
S9 S 0.71203 0.42405 0.15919 1.00000
S10 S 0.04622 0.09244 0.03779 1.00000
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