V3OF11
Alexandria ALEXAlex-ID: agm005285701 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C11_18_spg1
VF4 VOF3
2023-05-07 04:24:01.403224
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005285701).
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 agm005285701
data_agm005285701
_cell_length_a 5.96350
_cell_length_b 7.25666
_cell_length_c 5.25564
_cell_angle_alpha 98.44202
_cell_angle_beta 96.57988
_cell_angle_gamma 92.22757
_cell_volume 223.13304
_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 0.00907 0.97826 0.96010 1.00000
V2 V 0.82055 0.63588 0.39698 1.00000
V3 V 0.17165 0.35924 0.58615 1.00000
O1 O 0.99933 0.82555 0.69250 1.00000
F1 F 0.26540 0.93133 0.13737 1.00000
F2 F 0.58167 0.73380 0.51607 1.00000
F3 F 0.85183 0.81800 0.15613 1.00000
F4 F 0.13485 0.55259 0.36421 1.00000
F5 F 0.26149 0.52872 0.85850 1.00000
F6 F 0.71984 0.46854 0.12820 1.00000
F7 F 0.85051 0.45235 0.62498 1.00000
F8 F 0.16331 0.17813 0.84186 1.00000
F9 F 0.42741 0.28177 0.48022 1.00000
F10 F 0.00860 0.17809 0.33548 1.00000
F11 F 0.75039 0.08486 0.90500 1.00000
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