V3O5F
Alexandria ALEXAlex-ID: agm005262105 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_10_spg1
V3O5F
2023-05-07 19:11:10.705503
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005262105).
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 agm005262105
data_agm005262105
_cell_length_a 4.60975
_cell_length_b 5.52234
_cell_length_c 7.67737
_cell_angle_alpha 86.16696
_cell_angle_beta 88.46872
_cell_angle_gamma 87.89400
_cell_volume 194.81329
_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 0.53531 0.68687 0.34562 1.00000
V2 V 0.46469 0.31313 0.65438 1.00000
V3 V 0.50000 0.00000 0.00000 1.00000
V4 V 0.98664 0.15397 0.32280 1.00000
V5 V 0.00000 0.50000 0.00000 1.00000
V6 V 0.01336 0.84603 0.67720 1.00000
O1 O 0.81024 0.19852 0.10461 1.00000
O2 O 0.80061 0.87092 0.43592 1.00000
O3 O 0.70566 0.03645 0.75526 1.00000
O4 O 0.70447 0.37049 0.43427 1.00000
O5 O 0.68462 0.69692 0.11044 1.00000
O6 O 0.29434 0.96355 0.24474 1.00000
O7 O 0.31538 0.30308 0.88956 1.00000
O8 O 0.29553 0.62951 0.56573 1.00000
O9 O 0.18976 0.80148 0.89539 1.00000
O10 O 0.19939 0.12908 0.56408 1.00000
F1 F 0.79562 0.53779 0.76070 1.00000
F2 F 0.20438 0.46221 0.23930 1.00000
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