TlZn2TeO6
Alexandria ALEXAlex-ID: agm004949643 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1948_spg15
Tl6TeO12 Tl2TeO6 Zn3TeO6 Tl2TeO3
2022-08-01 06:39:19.884042
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004949643).
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 agm004949643
data_agm004949643
_cell_length_a 6.74497
_cell_length_b 6.81587
_cell_length_c 6.81587
_cell_angle_alpha 86.90630
_cell_angle_beta 81.78689
_cell_angle_gamma 81.78689
_cell_volume 306.76976
_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
Tl1 Tl 0.25000 0.90562 0.09438 1.00000
Tl2 Tl 0.75000 0.09438 0.90562 1.00000
Zn1 Zn 0.38930 0.74919 0.60247 1.00000
Zn2 Zn 0.11070 0.39753 0.25081 1.00000
Zn3 Zn 0.61070 0.25081 0.39753 1.00000
Zn4 Zn 0.88930 0.60247 0.74919 1.00000
Te1 Te 0.25000 0.27445 0.72555 1.00000
Te2 Te 0.75000 0.72555 0.27445 1.00000
O1 O 0.25276 0.98358 0.74735 1.00000
O2 O 0.24724 0.25265 0.01642 1.00000
O3 O 0.74724 0.01642 0.25265 1.00000
O4 O 0.75276 0.74735 0.98358 1.00000
O5 O 0.45600 0.73594 0.30752 1.00000
O6 O 0.04400 0.69248 0.26406 1.00000
O7 O 0.54400 0.26406 0.69248 1.00000
O8 O 0.95600 0.30752 0.73594 1.00000
O9 O 0.20199 0.56828 0.73003 1.00000
O10 O 0.29801 0.26997 0.43172 1.00000
O11 O 0.79801 0.43172 0.26997 1.00000
O12 O 0.70199 0.73003 0.56828 1.00000
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