LiNbTe2WO12
Alexandria ALEXAlex-ID: agm005236526 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E12_0_spg1
TeO3 Li2TeO4 WO3 Nb2O5
2023-05-07 11:34:16.202861
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005236526).
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 agm005236526
data_agm005236526
_cell_length_a 5.19546
_cell_length_b 5.39561
_cell_length_c 7.50198
_cell_angle_alpha 93.18449
_cell_angle_beta 90.17560
_cell_angle_gamma 89.93380
_cell_volume 209.97455
_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 0.00253 0.57028 0.71558 1.00000
Nb1 Nb 0.49888 0.50153 0.48619 1.00000
Te1 Te 0.50001 0.50405 0.99336 1.00000
Te2 Te 0.99847 0.00747 0.49941 1.00000
W1 W 0.00192 0.00774 0.00374 1.00000
O1 O 0.30124 0.19177 0.44878 1.00000
O2 O 0.09841 0.98731 0.75289 1.00000
O3 O 0.29587 0.79968 0.05260 1.00000
O4 O 0.18929 0.70206 0.45844 1.00000
O5 O 0.80348 0.69520 0.93868 1.00000
O6 O 0.37939 0.49917 0.75435 1.00000
O7 O 0.60102 0.50343 0.23925 1.00000
O8 O 0.20250 0.29947 0.05079 1.00000
O9 O 0.81829 0.30970 0.56088 1.00000
O10 O 0.70232 0.20185 0.94807 1.00000
O11 O 0.89392 0.00491 0.24922 1.00000
O12 O 0.71248 0.79999 0.55496 1.00000
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