VH6(OF)3
Alexandria ALEXAlex-ID: agm005282853 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3D6_27_spg1
VH6(OF)3
2023-03-23 00:23:46.243959
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005282853).
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 agm005282853
data_agm005282853
_cell_length_a 6.20413
_cell_length_b 6.58592
_cell_length_c 6.43463
_cell_angle_alpha 114.78412
_cell_angle_beta 111.84665
_cell_angle_gamma 100.04226
_cell_volume 203.82291
_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 0.70173 0.76438 0.87437 1.00000
H1 H 0.86516 0.21510 0.54992 1.00000
H2 H 0.31086 0.13832 0.02031 1.00000
H3 H 0.02611 0.66497 0.47520 1.00000
H4 H 0.99394 0.53243 0.38723 1.00000
H5 H 0.92167 0.22810 0.68245 1.00000
H6 H 0.28787 0.09149 0.88243 1.00000
O1 O 0.58372 0.73013 0.55206 1.00000
O2 O 0.52424 0.50334 0.53850 1.00000
O3 O 0.49630 0.77560 0.01993 1.00000
F1 F 0.49862 0.53752 0.97813 1.00000
F2 F 0.98990 0.74436 0.03302 1.00000
F3 F 0.81408 0.08848 0.02065 1.00000
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