TbHg2TeO6
Alexandria ALEXAlex-ID: agm004949865 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_608_spg87
Tb2TeO6 Hg3TeO6 Hg
2022-07-31 10:02:05.257424
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004949865).
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 agm004949865
data_agm004949865
_cell_length_a 5.79168
_cell_length_b 5.79162
_cell_length_c 5.97170
_cell_angle_alpha 60.99046
_cell_angle_beta 60.98813
_cell_angle_gamma 59.99868
_cell_volume 143.72037
_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
Tb1 Tb 0.81614 0.81614 0.55157 1.00000
Hg1 Hg 0.56750 0.56745 0.29754 1.00000
Hg2 Hg 0.06452 0.06457 0.80639 1.00000
Te1 Te 0.31617 0.31617 0.05149 1.00000
O1 O 0.54620 0.18880 0.28655 1.00000
O2 O 0.18889 0.97837 0.28651 1.00000
O3 O 0.97841 0.54605 0.28668 1.00000
O4 O 0.44345 0.65397 0.81622 1.00000
O5 O 0.65392 0.08654 0.81605 1.00000
O6 O 0.08639 0.44354 0.81619 1.00000
Get direct link