LiTeO2F
Alexandria ALEXAlex-ID: agm005014394 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_1723_spg11
LiF TeO2
2022-07-04 13:08:48.810864
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005014394).
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 agm005014394
data_agm005014394
_cell_length_a 4.08203
_cell_length_b 6.64546
_cell_length_c 6.76259
_cell_angle_alpha 56.02709
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 152.13433
_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 0.75000 0.13828 0.52293 1.00000
Li2 Li 0.25000 0.86172 0.47707 1.00000
Te1 Te 0.25000 0.81949 0.95221 1.00000
Te2 Te 0.75000 0.18051 0.04779 1.00000
O1 O 0.75000 0.93702 0.93535 1.00000
O2 O 0.25000 0.06298 0.06465 1.00000
O3 O 0.25000 0.06192 0.62700 1.00000
O4 O 0.75000 0.93808 0.37300 1.00000
F1 F 0.75000 0.40950 0.19570 1.00000
F2 F 0.25000 0.59050 0.80430 1.00000
Get direct link