V2O4F
Alexandria ALEXAlex-ID: agm005999318 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_3125_spg9
V4O9 VOF2 V2O5
2023-10-14 14:57:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005999318).
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 agm005999318
data_agm005999318
_cell_length_a 5.70109
_cell_length_b 5.70120
_cell_length_c 7.25392
_cell_angle_alpha 105.29245
_cell_angle_beta 105.29144
_cell_angle_gamma 101.18959
_cell_volume 210.38566
_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 0.79272 0.84983 0.39031 1.00000
V2 V 0.42793 0.22269 0.62658 1.00000
V3 V 0.09983 0.54272 0.89033 1.00000
V4 V 0.47268 0.17792 0.12658 1.00000
O1 O 0.78352 0.45155 0.76157 1.00000
O2 O 0.49143 0.15086 0.89213 1.00000
O3 O 0.72988 0.02551 0.23465 1.00000
O4 O 0.40088 0.24144 0.39214 1.00000
O5 O 0.10360 0.95008 0.53769 1.00000
O6 O 0.20006 0.85361 0.03771 1.00000
O7 O 0.70156 0.53350 0.26156 1.00000
O8 O 0.27555 0.47991 0.73469 1.00000
F1 F 0.60132 0.91904 0.55702 1.00000
F2 F 0.16905 0.35134 0.05704 1.00000
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