K3TeH
Alexandria ALEXAlex-ID: agm003073408 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_2175_spg15
K3TeH
2016-01-28 01:12:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003073408).
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 agm003073408
data_agm003073408
_cell_length_a 13.89371
_cell_length_b 9.80014
_cell_length_c 9.80014
_cell_angle_alpha 87.49009
_cell_angle_beta 123.21187
_cell_angle_gamma 56.78813
_cell_volume 813.62216
_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
H1 H 0.26766 0.33277 0.47866 1.00000
H2 H 0.23234 0.97866 0.83277 1.00000
H3 H 0.73234 0.66723 0.52134 1.00000
H4 H 0.76766 0.02134 0.16723 1.00000
K1 K 0.36014 0.42014 0.35321 1.00000
K2 K 0.13986 0.85321 0.92014 1.00000
K3 K 0.63986 0.57986 0.64679 1.00000
K4 K 0.86014 0.14679 0.07986 1.00000
K5 K 0.12648 0.25772 0.24231 1.00000
K6 K 0.37352 0.74231 0.75772 1.00000
K7 K 0.87352 0.74228 0.75769 1.00000
K8 K 0.62648 0.25769 0.24228 1.00000
K9 K 0.52329 0.09117 0.84756 1.00000
K10 K 0.97671 0.34756 0.59117 1.00000
K11 K 0.47671 0.90883 0.15244 1.00000
K12 K 0.02329 0.65244 0.40883 1.00000
Te1 Te 0.75000 0.16633 0.66633 1.00000
Te2 Te 0.25000 0.83367 0.33367 1.00000
Te3 Te 0.75000 0.58311 0.08311 1.00000
Te4 Te 0.25000 0.41689 0.91689 1.00000
Get direct link