K2Zr(TeO3)2
Alexandria ALEXAlex-ID: agm004571103 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_26_spg166
K2Te2O5 K2TeO3 ZrO2 Te
2022-06-24 15:33:10.282810
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004571103).
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 agm004571103
data_agm004571103
_cell_length_a 6.41098
_cell_length_b 6.41098
_cell_length_c 6.71750
_cell_angle_alpha 61.49830
_cell_angle_beta 61.49830
_cell_angle_gamma 60.00000
_cell_volume 199.53312
_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 0.79398 0.79398 0.61806 1.00000
K2 K 0.20602 0.20602 0.38194 1.00000
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.40819 0.40819 0.77542 1.00000
Te2 Te 0.59181 0.59181 0.22458 1.00000
O1 O 0.77003 0.77003 0.23823 1.00000
O2 O 0.22171 0.77003 0.23823 1.00000
O3 O 0.77003 0.22171 0.23823 1.00000
O4 O 0.22997 0.77829 0.76177 1.00000
O5 O 0.77829 0.22997 0.76177 1.00000
O6 O 0.22997 0.22997 0.76177 1.00000
Get direct link