V4OF11
Alexandria ALEXAlex-ID: agm005245092 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C11_44_spg5
V4OF11
2024-10-09 10:11:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005245092).
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 agm005245092
data_agm005245092
_cell_length_a 5.46518
_cell_length_b 5.46518
_cell_length_c 17.66718
_cell_angle_alpha 79.39339
_cell_angle_beta 79.39339
_cell_angle_gamma 57.57015
_cell_volume 435.46016
_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 0.60475 0.51744 0.80433 1.00000
V2 V 0.12859 0.99136 0.31162 1.00000
V3 V 0.23876 0.13719 0.93601 1.00000
V4 V 0.75437 0.61913 0.43726 1.00000
V5 V 0.86281 0.76124 0.06399 1.00000
V6 V 0.38087 0.24563 0.56274 1.00000
V7 V 0.00864 0.87141 0.68838 1.00000
V8 V 0.48256 0.39525 0.19567 1.00000
O1 O 0.34080 0.61339 0.26752 1.00000
O2 O 0.38661 0.65920 0.73248 1.00000
F1 F 0.83756 0.11496 0.77542 1.00000
F2 F 0.91500 0.58366 0.74873 1.00000
F3 F 0.41634 0.08500 0.25127 1.00000
F4 F 0.34323 0.42022 0.87749 1.00000
F5 F 0.62068 0.92997 0.97705 1.00000
F6 F 0.14680 0.40636 0.47455 1.00000
F7 F 0.42541 0.88673 0.84998 1.00000
F8 F 0.91303 0.38727 0.34938 1.00000
F9 F 0.11327 0.57459 0.15002 1.00000
F10 F 0.14389 0.85611 0.00000 1.00000
F11 F 0.83674 0.91259 0.37470 1.00000
F12 F 0.07003 0.37932 0.02295 1.00000
F13 F 0.88504 0.16244 0.22458 1.00000
F14 F 0.59364 0.85320 0.52545 1.00000
F15 F 0.61273 0.08697 0.65062 1.00000
F16 F 0.65477 0.13775 0.10766 1.00000
F17 F 0.86225 0.34523 0.89234 1.00000
F18 F 0.36203 0.83287 0.39987 1.00000
F19 F 0.67328 0.32672 0.50000 1.00000
F20 F 0.08741 0.16326 0.62530 1.00000
F21 F 0.57978 0.65677 0.12251 1.00000
F22 F 0.16713 0.63797 0.60013 1.00000
