V6O7F5
Alexandria ALEXAlex-ID: agm005220105 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B6C7_1_spg1
V2O3F VOF
2023-05-07 19:08:54.474059
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005220105).
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 agm005220105
data_agm005220105
_cell_length_a 4.69686
_cell_length_b 5.65363
_cell_length_c 7.75963
_cell_angle_alpha 86.12003
_cell_angle_beta 89.37343
_cell_angle_gamma 89.02434
_cell_volume 205.53959
_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 0.48038 0.84720 0.66927 1.00000
V2 V 0.49012 0.49436 0.99687 1.00000
V3 V 0.53051 0.17092 0.33759 1.00000
V4 V 0.02846 0.32361 0.66284 1.00000
V5 V 0.93840 0.66524 0.32947 1.00000
V6 V 0.00422 0.00492 0.00301 1.00000
O1 O 0.81110 0.37652 0.43420 1.00000
O2 O 0.80460 0.69819 0.10752 1.00000
O3 O 0.68831 0.20170 0.10414 1.00000
O4 O 0.71227 0.85998 0.44223 1.00000
O5 O 0.31372 0.13000 0.56093 1.00000
O6 O 0.30566 0.79431 0.89609 1.00000
O7 O 0.19073 0.29568 0.89552 1.00000
F1 F 0.80303 0.03563 0.76620 1.00000
F2 F 0.70203 0.53595 0.75608 1.00000
F3 F 0.29233 0.47492 0.24081 1.00000
F4 F 0.20076 0.96009 0.24115 1.00000
F5 F 0.20337 0.63078 0.55607 1.00000
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