V3O5F
Alexandria ALEXAlex-ID: agm005279472 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_10_spg1
V3O5F
2023-05-07 18:26:15.176662
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005279472).
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 agm005279472
data_agm005279472
_cell_length_a 4.66441
_cell_length_b 5.55475
_cell_length_c 7.54137
_cell_angle_alpha 84.88514
_cell_angle_beta 88.19691
_cell_angle_gamma 88.76530
_cell_volume 194.48515
_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 0.51579 0.83734 0.67041 1.00000
V2 V 0.49371 0.50420 0.99752 1.00000
V3 V 0.52398 0.18279 0.33937 1.00000
V4 V 0.00034 0.31995 0.67384 1.00000
V5 V 0.97127 0.65777 0.32101 1.00000
V6 V 0.99681 0.00407 0.98403 1.00000
O1 O 0.80616 0.37667 0.43657 1.00000
O2 O 0.80214 0.70839 0.09765 1.00000
O3 O 0.79945 0.01852 0.77121 1.00000
O4 O 0.68989 0.20138 0.11063 1.00000
O5 O 0.68957 0.51604 0.78047 1.00000
O6 O 0.71699 0.87031 0.42552 1.00000
O7 O 0.31013 0.13858 0.55215 1.00000
O8 O 0.30208 0.47868 0.23445 1.00000
O9 O 0.29059 0.79396 0.90196 1.00000
O10 O 0.19538 0.28767 0.91045 1.00000
F1 F 0.19727 0.96782 0.22814 1.00000
F2 F 0.19844 0.63584 0.56461 1.00000
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