V2Te2O7F2
Alexandria ALEXAlex-ID: agm005242003 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C2D7_39_spg2
Te2O3F2 VOF2 VTeO4
2023-05-06 14:04:16.422297
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005242003).
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 agm005242003
data_agm005242003
_cell_length_a 4.96170
_cell_length_b 5.34245
_cell_length_c 7.29684
_cell_angle_alpha 108.81549
_cell_angle_beta 91.16078
_cell_angle_gamma 88.56564
_cell_volume 183.01329
_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 0.76550 0.34720 0.36370 1.00000
V2 V 0.23450 0.65280 0.63630 1.00000
Te1 Te 0.72617 0.31376 0.82687 1.00000
Te2 Te 0.27383 0.68624 0.17313 1.00000
O1 O 0.11806 0.94825 0.76512 1.00000
O2 O 0.07414 0.59097 0.37216 1.00000
O3 O 0.88194 0.05175 0.23488 1.00000
O4 O 0.47327 0.60655 0.86013 1.00000
O5 O 0.52673 0.39345 0.13987 1.00000
O6 O 0.92586 0.40903 0.62784 1.00000
O7 O 0.00000 0.50000 0.00000 1.00000
F1 F 0.44457 0.26381 0.49045 1.00000
F2 F 0.55543 0.73619 0.50955 1.00000
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