Li2TbTi2O7
Alexandria ALEXAlex-ID: agm002284544 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_10_spg44
LiTbTi2O6 Li2TiO3 Tb2TiO5 LiO8
2019-01-04 17:53:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002284544).
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 agm002284544
data_agm002284544
_cell_length_a 3.81390
_cell_length_b 3.81391
_cell_length_c 9.69774
_cell_angle_alpha 101.32480
_cell_angle_beta 101.32476
_cell_angle_gamma 90.00106
_cell_volume 135.51314
_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 0.24976 0.75020 0.50000 1.00000
Li2 Li 0.75020 0.24977 0.50000 1.00000
Tb1 Tb 0.99999 0.99999 0.00000 1.00000
O1 O 0.49999 0.49998 1.00000 1.00000
O2 O 0.58970 0.08975 0.17969 1.00000
O3 O 0.08975 0.58970 0.17969 1.00000
O4 O 0.41028 0.91022 0.82031 1.00000
O5 O 0.91022 0.41028 0.82031 1.00000
O6 O 0.28940 0.28940 0.57875 1.00000
O7 O 0.71057 0.71057 0.42124 1.00000
Ti1 Ti 0.61326 0.61326 0.22668 1.00000
Ti2 Ti 0.38671 0.38671 0.77332 1.00000
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