V4OF11
Alexandria ALEXAlex-ID: agm005227597 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C11_40_spg1
V4OF11
2024-10-09 10:25:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005227597).
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 agm005227597
data_agm005227597
_cell_length_a 5.24735
_cell_length_b 5.45165
_cell_length_c 17.53154
_cell_angle_alpha 89.04544
_cell_angle_beta 98.27971
_cell_angle_gamma 118.56724
_cell_volume 435.08494
_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 0.50000 0.50000 0.50000 1.00000
V2 V 0.50000 0.00000 0.00000 1.00000
V3 V 0.26575 0.85662 0.62271 1.00000
V4 V 0.24793 0.37777 0.12507 1.00000
V5 V 0.00531 0.24371 0.74942 1.00000
V6 V 0.99469 0.75629 0.25058 1.00000
V7 V 0.73425 0.14339 0.37729 1.00000
V8 V 0.75207 0.62223 0.87493 1.00000
O1 O 0.59957 0.32272 0.41867 1.00000
O2 O 0.40043 0.67728 0.58133 1.00000
F1 F 0.08159 0.27287 0.45956 1.00000
F2 F 0.52592 0.79884 0.43176 1.00000
F3 F 0.51924 0.31098 0.93751 1.00000
F4 F 0.47408 0.20116 0.56824 1.00000
F5 F 0.08310 0.07133 0.66436 1.00000
F6 F 0.07296 0.78323 0.96390 1.00000
F7 F 0.07242 0.59396 0.16212 1.00000
F8 F 0.91841 0.72713 0.54044 1.00000
F9 F 0.92704 0.21677 0.03610 1.00000
F10 F 0.92758 0.40604 0.83788 1.00000
F11 F 0.02792 0.55915 0.68746 1.00000
F12 F 0.48076 0.68902 0.06249 1.00000
F13 F 0.57519 0.02607 0.71273 1.00000
F14 F 0.57445 0.83781 0.91136 1.00000
F15 F 0.56733 0.53768 0.21391 1.00000
F16 F 0.91690 0.92867 0.33564 1.00000
F17 F 0.43267 0.46232 0.78609 1.00000
F18 F 0.42555 0.16219 0.08864 1.00000
F19 F 0.01372 0.06366 0.18621 1.00000
F20 F 0.97208 0.44085 0.31254 1.00000
F21 F 0.98628 0.93634 0.81379 1.00000
F22 F 0.42481 0.97393 0.28727 1.00000
