V4O5F7
Alexandria ALEXAlex-ID: agm005273385 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5C7_3_spg1
VOF2 V2O5 VOF3
2023-05-07 11:34:58.877352
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005273385).
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 agm005273385
data_agm005273385
_cell_length_a 5.28969
_cell_length_b 5.39227
_cell_length_c 9.19944
_cell_angle_alpha 74.16637
_cell_angle_beta 73.79092
_cell_angle_gamma 60.49556
_cell_volume 216.39696
_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 0.78809 0.73137 0.74099 1.00000
V2 V 0.53179 0.50722 0.49405 1.00000
V3 V 0.23258 0.24917 0.23972 1.00000
V4 V 0.99618 0.98956 0.99294 1.00000
O1 O 0.87116 0.86101 0.89484 1.00000
O2 O 0.83033 0.42342 0.35185 1.00000
O3 O 0.13327 0.58280 0.64711 1.00000
O4 O 0.15142 0.15169 0.10679 1.00000
O5 O 0.61951 0.63664 0.60933 1.00000
F1 F 0.34325 0.35317 0.39764 1.00000
F2 F 0.35831 0.93410 0.84578 1.00000
F3 F 0.79477 0.39435 0.89332 1.00000
F4 F 0.67603 0.12113 0.61092 1.00000
F5 F 0.29131 0.87990 0.38758 1.00000
F6 F 0.21493 0.61728 0.11924 1.00000
F7 F 0.66707 0.06718 0.16789 1.00000
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