TlB2TeO8
Alexandria ALEXAlex-ID: agm004884533 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_293_spg12
Tl2TeO6 TeO3 B2O3 TlO4
2022-08-10 07:17:09.092601
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004884533).
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 agm004884533
data_agm004884533
_cell_length_a 4.62789
_cell_length_b 4.62789
_cell_length_c 6.92499
_cell_angle_alpha 93.12143
_cell_angle_beta 93.12143
_cell_angle_gamma 66.96169
_cell_volume 136.19485
_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 0.00000 0.00000 0.50000 1.00000
B1 B 0.65699 0.65699 0.21780 1.00000
B2 B 0.34301 0.34301 0.78220 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
O1 O 0.69903 0.21860 0.79153 1.00000
O2 O 0.76017 0.76017 0.05119 1.00000
O3 O 0.73221 0.73221 0.41600 1.00000
O4 O 0.26779 0.26779 0.58400 1.00000
O5 O 0.23983 0.23983 0.94881 1.00000
O6 O 0.21860 0.69903 0.79153 1.00000
O7 O 0.78140 0.30097 0.20847 1.00000
O8 O 0.30097 0.78140 0.20847 1.00000
Get direct link