LiTb2TeO6
Alexandria ALEXAlex-ID: agm004949697 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
Tb6TeO12 Li3Tb3(TeO6)2 Tb2Te4O11 Li2TeO3
2022-07-26 20:51:17.481744
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004949697).
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
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# CIF generated by HEAS from Alexandria entry agm004949697
data_agm004949697
_cell_length_a 5.67000
_cell_length_b 5.67007
_cell_length_c 5.95782
_cell_angle_alpha 61.58406
_cell_angle_beta 61.58271
_cell_angle_gamma 59.99869
_cell_volume 138.58912
_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
Li1 Li 0.79234 0.79226 0.62314 1.00000
Tb1 Tb 0.53011 0.53011 0.40965 1.00000
Tb2 Tb 0.02528 0.02528 0.92416 1.00000
Te1 Te 0.32004 0.32005 0.03987 1.00000
O1 O 0.59359 0.21182 0.23999 1.00000
O2 O 0.21179 0.95457 0.24002 1.00000
O3 O 0.95456 0.59365 0.24002 1.00000
O4 O 0.42884 0.68260 0.76611 1.00000
O5 O 0.68261 0.12243 0.76613 1.00000
O6 O 0.12243 0.42884 0.76611 1.00000
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