V2OF5
Alexandria ALEXAlex-ID: agm005229359 · Space group: Pc (#7)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_386_spg7
VOF2 V4OF11
2023-05-07 10:53:06.577508
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005229359).
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 agm005229359
data_agm005229359
_cell_length_a 4.91945
_cell_length_b 4.91917
_cell_length_c 9.97347
_cell_angle_alpha 60.62690
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 210.32671
_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 0.23504 0.66451 0.82349 1.00000
V2 V 0.76068 0.32261 0.68999 1.00000
V3 V 0.76496 0.66451 0.32349 1.00000
V4 V 0.23932 0.32261 0.18999 1.00000
O1 O 0.95254 0.39679 0.80918 1.00000
O2 O 0.04746 0.39679 0.30918 1.00000
F1 F 0.53105 0.96945 0.81423 1.00000
F2 F 0.46081 0.60305 0.67789 1.00000
F3 F 0.02950 0.03621 0.67724 1.00000
F4 F 0.58045 0.32751 0.50456 1.00000
F5 F 0.92779 0.67913 0.50147 1.00000
F6 F 0.46895 0.96945 0.31423 1.00000
F7 F 0.97050 0.03621 0.17724 1.00000
F8 F 0.53919 0.60305 0.17789 1.00000
F9 F 0.41955 0.32751 0.00456 1.00000
F10 F 0.07221 0.67913 0.00147 1.00000
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