V(TeO3)2
Alexandria ALEXAlex-ID: agm005688325 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_883_spg15
VTeO4 TeO2
2023-07-09 03:15:38.094092
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688325).
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 agm005688325
data_agm005688325
_cell_length_a 5.48186
_cell_length_b 7.29900
_cell_length_c 7.29895
_cell_angle_alpha 79.80964
_cell_angle_beta 93.24342
_cell_angle_gamma 93.24315
_cell_volume 286.65658
_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
V1 V 0.25000 0.06879 0.93121 1.00000
V2 V 0.75000 0.93121 0.06879 1.00000
Te1 Te 0.29891 0.61227 0.82906 1.00000
Te2 Te 0.20109 0.17094 0.38773 1.00000
Te3 Te 0.70109 0.38773 0.17094 1.00000
Te4 Te 0.79891 0.82906 0.61227 1.00000
O1 O 0.49750 0.66902 0.60354 1.00000
O2 O 0.00250 0.39646 0.33098 1.00000
O3 O 0.50250 0.33098 0.39646 1.00000
O4 O 0.99750 0.60354 0.66902 1.00000
O5 O 0.85208 0.88525 0.35506 1.00000
O6 O 0.64792 0.64494 0.11475 1.00000
O7 O 0.14792 0.11475 0.64494 1.00000
O8 O 0.35208 0.35506 0.88525 1.00000
O9 O 0.04738 0.85576 0.94821 1.00000
O10 O 0.45262 0.05179 0.14424 1.00000
O11 O 0.95262 0.14424 0.05179 1.00000
O12 O 0.54738 0.94821 0.85576 1.00000
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