K3ThSb3Te8
Alexandria ALEXAlex-ID: agm044477263 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3D8_3_spg12
K2ThTe3 KSbTe2 K(ThTe3)2 Sb16Te3
2024-10-14 04:24:31.797523
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044477263).
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 agm044477263
data_agm044477263
_cell_length_a 9.88194
_cell_length_b 9.88194
_cell_length_c 9.88194
_cell_angle_alpha 54.12779
_cell_angle_beta 54.12779
_cell_angle_gamma 54.12779
_cell_volume 588.80881
_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 0.00000 0.50000 0.00000 1.00000
K2 K 0.00000 0.00000 0.50000 1.00000
K3 K 0.50000 0.00000 0.00000 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.50000 0.00000 0.50000 1.00000
Sb2 Sb 0.50000 0.50000 0.00000 1.00000
Sb3 Sb 0.00000 0.50000 0.50000 1.00000
Te1 Te 0.73512 0.73512 0.73512 1.00000
Te2 Te 0.26488 0.26488 0.26488 1.00000
Te3 Te 0.23785 0.73046 0.23785 1.00000
Te4 Te 0.76215 0.26954 0.76215 1.00000
Te5 Te 0.23785 0.23785 0.73046 1.00000
Te6 Te 0.76215 0.76215 0.26954 1.00000
Te7 Te 0.73046 0.23785 0.23785 1.00000
Te8 Te 0.26954 0.76215 0.76215 1.00000
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