V3OF11
Alexandria ALEXAlex-ID: agm005227799 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C11_3_spg1
VF4 VOF3
2023-05-15 09:43:04.331536
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005227799).
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 agm005227799
data_agm005227799
_cell_length_a 5.27737
_cell_length_b 5.46672
_cell_length_c 15.01338
_cell_angle_alpha 100.33002
_cell_angle_beta 89.89086
_cell_angle_gamma 90.36213
_cell_volume 426.10560
_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 0.03982 0.61791 0.83000 1.00000
V2 V 0.50000 0.50000 0.50000 1.00000
V3 V 0.96018 0.38209 0.17000 1.00000
V4 V 0.52154 0.14691 0.83457 1.00000
V5 V 0.00000 0.00000 0.50000 1.00000
V6 V 0.47846 0.85309 0.16543 1.00000
O1 O 0.77720 0.62848 0.18994 1.00000
O2 O 0.22280 0.37152 0.81006 1.00000
F1 F 0.73585 0.45281 0.85965 1.00000
F2 F 0.26415 0.54719 0.14035 1.00000
F3 F 0.91304 0.62366 0.72122 1.00000
F4 F 0.58036 0.46039 0.38409 1.00000
F5 F 0.91090 0.27818 0.05289 1.00000
F6 F 0.41964 0.53961 0.61591 1.00000
F7 F 0.08696 0.37634 0.27878 1.00000
F8 F 0.41345 0.20948 0.94778 1.00000
F9 F 0.80226 0.30961 0.52180 1.00000
F10 F 0.70224 0.14745 0.19291 1.00000
F11 F 0.79712 0.95616 0.85751 1.00000
F12 F 0.30267 0.18937 0.47648 1.00000
F13 F 0.20288 0.04384 0.14249 1.00000
F14 F 0.58614 0.12422 0.71785 1.00000
F15 F 0.91962 0.95451 0.38405 1.00000
F16 F 0.58655 0.79052 0.05222 1.00000
F17 F 0.08038 0.04549 0.61595 1.00000
F18 F 0.41386 0.87578 0.28215 1.00000
F19 F 0.08910 0.72182 0.94711 1.00000
F20 F 0.69733 0.81063 0.52352 1.00000
F21 F 0.29776 0.85255 0.80709 1.00000
F22 F 0.19774 0.69039 0.47820 1.00000
