KGeTe2
Alexandria ALEXAlex-ID: agm005720007 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_9216_spg15
K2Te5 K3GeTe3 GeTe
2023-07-14 17:14:54.837494
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005720007).
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 agm005720007
data_agm005720007
_cell_length_a 8.32380
_cell_length_b 8.32380
_cell_length_c 17.86304
_cell_angle_alpha 79.77710
_cell_angle_beta 79.77710
_cell_angle_gamma 84.96896
_cell_volume 1196.65014
_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 0.61209 0.79663 0.86981 1.00000
K2 K 0.20337 0.38791 0.63019 1.00000
K3 K 0.38791 0.20337 0.13019 1.00000
K4 K 0.79663 0.61209 0.36981 1.00000
K5 K 0.20431 0.88118 0.60006 1.00000
K6 K 0.11882 0.79569 0.89994 1.00000
K7 K 0.79569 0.11882 0.39994 1.00000
K8 K 0.88118 0.20431 0.10006 1.00000
Ge1 Ge 0.47753 0.25967 0.82825 1.00000
Ge2 Ge 0.74033 0.52247 0.67175 1.00000
Ge3 Ge 0.52247 0.74033 0.17175 1.00000
Ge4 Ge 0.25967 0.47753 0.32825 1.00000
Ge5 Ge 0.65873 0.08655 0.64842 1.00000
Ge6 Ge 0.91345 0.34127 0.85158 1.00000
Ge7 Ge 0.34127 0.91345 0.35158 1.00000
Ge8 Ge 0.08655 0.65873 0.14842 1.00000
Te1 Te 0.64729 0.36391 0.95275 1.00000
Te2 Te 0.63609 0.35271 0.54725 1.00000
Te3 Te 0.35271 0.63609 0.04725 1.00000
Te4 Te 0.36391 0.64729 0.45275 1.00000
Te5 Te 0.37212 0.04712 0.73620 1.00000
Te6 Te 0.95288 0.62788 0.76380 1.00000
Te7 Te 0.62788 0.95288 0.26380 1.00000
Te8 Te 0.04712 0.37212 0.23620 1.00000
Te9 Te 0.77108 0.83179 0.57906 1.00000
Te10 Te 0.16821 0.22892 0.92094 1.00000
Te11 Te 0.22892 0.16821 0.42094 1.00000
Te12 Te 0.83179 0.77108 0.07906 1.00000
Te13 Te 0.85917 0.14083 0.75000 1.00000
Te14 Te 0.14083 0.85917 0.25000 1.00000
Te15 Te 0.43436 0.56564 0.75000 1.00000
Te16 Te 0.56564 0.43436 0.25000 1.00000
