V6O7F5
Alexandria ALEXAlex-ID: agm005241889 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B6C7_1_spg1
V2O3F VOF
2023-05-07 19:13:19.920275
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005241889).
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 agm005241889
data_agm005241889
_cell_length_a 4.65584
_cell_length_b 5.62509
_cell_length_c 7.80446
_cell_angle_alpha 86.31408
_cell_angle_beta 88.78426
_cell_angle_gamma 89.02006
_cell_volume 203.90074
_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 0.52296 0.82554 0.64533 1.00000
V2 V 0.49242 0.49946 0.99633 1.00000
V3 V 0.50180 0.18311 0.35869 1.00000
V4 V 0.00234 0.33594 0.67254 1.00000
V5 V 0.97463 0.64462 0.31668 1.00000
V6 V 0.00408 0.00560 0.00322 1.00000
O1 O 0.80878 0.37332 0.43560 1.00000
O2 O 0.80580 0.70709 0.09873 1.00000
O3 O 0.68858 0.53883 0.76928 1.00000
O4 O 0.72060 0.86265 0.42648 1.00000
O5 O 0.30531 0.12495 0.57586 1.00000
O6 O 0.29369 0.47467 0.23506 1.00000
O7 O 0.18578 0.29217 0.90683 1.00000
F1 F 0.79669 0.03361 0.77295 1.00000
F2 F 0.69059 0.19714 0.11012 1.00000
F3 F 0.29436 0.80361 0.88700 1.00000
F4 F 0.21176 0.96679 0.23288 1.00000
F5 F 0.19983 0.63090 0.55640 1.00000
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