V6O7F5
Alexandria ALEXAlex-ID: agm005221250 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B6C7_20_spg1
V2O3F VOF
2023-05-07 19:22:43.508963
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005221250).
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 agm005221250
data_agm005221250
_cell_length_a 4.63338
_cell_length_b 5.62315
_cell_length_c 7.83592
_cell_angle_alpha 87.15218
_cell_angle_beta 88.85888
_cell_angle_gamma 89.05478
_cell_volume 203.84175
_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 0.53255 0.84639 0.65238 1.00000
V2 V 0.50227 0.49478 0.00091 1.00000
V3 V 0.47763 0.17374 0.35146 1.00000
V4 V 0.99669 0.32108 0.69372 1.00000
V5 V 0.98934 0.66262 0.32029 1.00000
V6 V 0.98953 0.98775 0.99412 1.00000
O1 O 0.80607 0.70141 0.09286 1.00000
O2 O 0.79499 0.04293 0.76972 1.00000
O3 O 0.71245 0.53552 0.76076 1.00000
O4 O 0.70293 0.87996 0.42481 1.00000
O5 O 0.28218 0.14925 0.56818 1.00000
O6 O 0.30940 0.46186 0.23141 1.00000
O7 O 0.19439 0.28298 0.90358 1.00000
F1 F 0.80053 0.37247 0.44380 1.00000
F2 F 0.70448 0.19508 0.11361 1.00000
F3 F 0.30226 0.79267 0.88685 1.00000
F4 F 0.20350 0.96084 0.22626 1.00000
F5 F 0.19881 0.63866 0.56527 1.00000
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