LiTeO4
Alexandria ALEXAlex-ID: agm005914865 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_7_spg141
Li2TeO4 TeO3 LiO8
2023-07-29 02:37:35.704720
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005914865).
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 agm005914865
data_agm005914865
_cell_length_a 4.88508
_cell_length_b 5.21337
_cell_length_c 6.66474
_cell_angle_alpha 113.92269
_cell_angle_beta 112.44777
_cell_angle_gamma 87.75004
_cell_volume 142.04987
_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 0.09174 0.84174 0.68349 1.00000
Li2 Li 0.90826 0.15826 0.31651 1.00000
Te1 Te 0.33470 0.58470 0.16941 1.00000
Te2 Te 0.66530 0.41530 0.83059 1.00000
O1 O 0.98555 0.34052 0.10155 1.00000
O2 O 0.61599 0.76103 0.10155 1.00000
O3 O 0.36304 0.52089 0.60656 1.00000
O4 O 0.63696 0.47911 0.39344 1.00000
O5 O 0.25648 0.91432 0.39344 1.00000
O6 O 0.38401 0.23897 0.89845 1.00000
O7 O 0.74352 0.08568 0.60656 1.00000
O8 O 0.01445 0.65948 0.89845 1.00000
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