V6O7F5
Alexandria ALEXAlex-ID: agm005236837 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B6C7_20_spg1
V2O3F VOF
2023-05-07 19:42:41.872270
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005236837).
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 agm005236837
data_agm005236837
_cell_length_a 4.64821
_cell_length_b 5.60123
_cell_length_c 7.82776
_cell_angle_alpha 86.24419
_cell_angle_beta 88.95769
_cell_angle_gamma 88.44083
_cell_volume 203.26037
_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 0.51085 0.83122 0.65489 1.00000
V2 V 0.51307 0.48702 0.00843 1.00000
V3 V 0.49544 0.16619 0.34307 1.00000
V4 V 0.02081 0.33940 0.68447 1.00000
V5 V 0.98115 0.66084 0.31625 1.00000
V6 V 0.98344 0.01247 0.00474 1.00000
O1 O 0.78826 0.70478 0.08687 1.00000
O2 O 0.69780 0.20827 0.10828 1.00000
O3 O 0.69212 0.53699 0.76752 1.00000
O4 O 0.70852 0.87034 0.42408 1.00000
O5 O 0.29889 0.12650 0.56730 1.00000
O6 O 0.30640 0.46183 0.23122 1.00000
O7 O 0.20769 0.29861 0.90633 1.00000
F1 F 0.80640 0.36812 0.44576 1.00000
F2 F 0.79538 0.03715 0.76925 1.00000
F3 F 0.29089 0.79692 0.89620 1.00000
F4 F 0.20010 0.95978 0.22755 1.00000
F5 F 0.20277 0.63358 0.55780 1.00000
Get direct link