V4OF11
Alexandria ALEXAlex-ID: agm005228233 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C11_42_spg1
V4OF11
2024-10-09 10:54:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005228233).
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 agm005228233
data_agm005228233
_cell_length_a 5.27196
_cell_length_b 5.45645
_cell_length_c 17.47723
_cell_angle_alpha 88.74590
_cell_angle_beta 98.52797
_cell_angle_gamma 118.76969
_cell_volume 435.11061
_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 0.74656 0.40190 0.12047 1.00000
V2 V 0.75339 0.87197 0.62416 1.00000
V3 V 0.49765 0.76131 0.25034 1.00000
V4 V 0.50191 0.24696 0.74978 1.00000
V5 V 0.24600 0.14183 0.38228 1.00000
V6 V 0.24939 0.62108 0.87538 1.00000
V7 V 0.99361 0.99111 0.00193 1.00000
V8 V 0.00514 0.49569 0.49832 1.00000
O1 O 0.78726 0.66902 0.06407 1.00000
O2 O 0.17556 0.28787 0.45474 1.00000
F1 F 0.31979 0.16455 0.08893 1.00000
F2 F 0.77591 0.18720 0.56192 1.00000
F3 F 0.70649 0.07883 0.18624 1.00000
F4 F 0.32643 0.96811 0.29388 1.00000
F5 F 0.32571 0.65743 0.58696 1.00000
F6 F 0.32304 0.45880 0.78703 1.00000
F7 F 0.81406 0.19694 0.04035 1.00000
F8 F 0.16581 0.57787 0.16402 1.00000
F9 F 0.18160 0.08752 0.66125 1.00000
F10 F 0.27663 0.43221 0.31021 1.00000
F11 F 0.73311 0.56038 0.68740 1.00000
F12 F 0.83185 0.91241 0.33653 1.00000
F13 F 0.82644 0.71233 0.53626 1.00000
F14 F 0.81981 0.40767 0.83849 1.00000
F15 F 0.18179 0.79309 0.96262 1.00000
F16 F 0.67600 0.33617 0.41141 1.00000
F17 F 0.67390 0.54757 0.21109 1.00000
F18 F 0.67881 0.03263 0.71271 1.00000
F19 F 0.27122 0.93113 0.81202 1.00000
F20 F 0.22420 0.31372 0.93869 1.00000
F21 F 0.23181 0.81791 0.43790 1.00000
F22 F 0.67911 0.83678 0.91260 1.00000
