V4O7F5
Alexandria ALEXAlex-ID: agm005289449 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5C7_19_spg1
VOF2 V2O5 VOF3
2023-05-07 20:41:22.201605
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005289449).
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 agm005289449
data_agm005289449
_cell_length_a 5.78700
_cell_length_b 5.30011
_cell_length_c 14.94515
_cell_angle_alpha 90.25328
_cell_angle_beta 134.60311
_cell_angle_gamma 118.94084
_cell_volume 238.07246
_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 0.84767 0.00001 0.17200 1.00000
V2 V 0.20896 0.87976 0.79564 1.00000
V3 V 0.35861 0.94215 0.60556 1.00000
V4 V 0.06243 0.30202 0.67566 1.00000
O1 O 0.58045 0.58021 0.05161 1.00000
O2 O 0.79912 0.48845 0.41112 1.00000
O3 O 0.41027 0.39258 0.33119 1.00000
O4 O 0.76343 0.85180 0.67099 1.00000
O5 O 0.32489 0.78429 0.71774 1.00000
O6 O 0.95930 0.43430 0.76192 1.00000
O7 O 0.89486 0.69410 0.20912 1.00000
F1 F 0.06644 0.11541 0.56249 1.00000
F2 F 0.54743 0.99522 0.17494 1.00000
F3 F 0.43346 0.07047 0.49040 1.00000
F4 F 0.65140 0.08694 0.01409 1.00000
F5 F 0.59128 0.38229 0.85555 1.00000
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