VH6(OF)3
Alexandria ALEXAlex-ID: agm005258148 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3D6_26_spg1
VH6(OF)3
2023-03-22 23:04:03.810761
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005258148).
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 agm005258148
data_agm005258148
_cell_length_a 6.36132
_cell_length_b 7.44460
_cell_length_c 7.25771
_cell_angle_alpha 126.33863
_cell_angle_beta 124.51212
_cell_angle_gamma 76.51299
_cell_volume 225.40229
_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 0.88557 0.12795 0.00023 1.00000
H1 H 0.46563 0.86172 0.93105 1.00000
H2 H 0.03924 0.83913 0.44703 1.00000
H3 H 0.54746 0.38872 0.62254 1.00000
H4 H 0.58770 0.40962 0.55663 1.00000
H5 H 0.54904 0.92890 0.08413 1.00000
H6 H 0.93825 0.75812 0.39681 1.00000
O1 O 0.67365 0.29275 0.00392 1.00000
O2 O 0.16537 0.52938 0.85639 1.00000
O3 O 0.26672 0.66542 0.10511 1.00000
F1 F 0.73090 0.85387 0.70435 1.00000
F2 F 0.10802 0.22488 0.99575 1.00000
F3 F 0.04243 0.13373 0.29605 1.00000
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