V4O7F5
Alexandria ALEXAlex-ID: agm005223652 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5C7_30_spg1
VOF2 V2O5 VOF3
2024-10-09 19:56:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005223652).
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 agm005223652
data_agm005223652
_cell_length_a 5.25353
_cell_length_b 5.36809
_cell_length_c 9.03325
_cell_angle_alpha 74.13108
_cell_angle_beta 90.89360
_cell_angle_gamma 60.28688
_cell_volume 209.31190
_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 0.78768 0.45858 0.25269 1.00000
V2 V 0.48645 0.95708 0.50532 1.00000
V3 V 0.31074 0.45538 0.75000 1.00000
V4 V 0.03689 0.97913 0.00458 1.00000
O1 O 0.92635 0.26446 0.12816 1.00000
O2 O 0.55181 0.76162 0.38115 1.00000
O3 O 0.39494 0.76330 0.09538 1.00000
O4 O 0.40039 0.76067 0.65948 1.00000
O5 O 0.59511 0.25173 0.90298 1.00000
O6 O 0.43060 0.26660 0.62221 1.00000
O7 O 0.08290 0.26425 0.40680 1.00000
F1 F 0.89442 0.77814 0.58841 1.00000
F2 F 0.89040 0.76186 0.16196 1.00000
F3 F 0.57865 0.27036 0.33807 1.00000
F4 F 0.05113 0.74316 0.87267 1.00000
F5 F 0.08155 0.26369 0.83015 1.00000
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