Sr2VF6
Alexandria ALEXAlex-ID: agm005649501 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_7_spg14
VF2 SrF2
2023-07-07 03:59:03.682811
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005649501).
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 agm005649501
data_agm005649501
_cell_length_a 5.76684
_cell_length_b 6.35670
_cell_length_c 8.19044
_cell_angle_alpha 90.00000
_cell_angle_beta 96.31208
_cell_angle_gamma 90.00000
_cell_volume 298.42564
_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
Sr1 Sr 0.96062 0.40770 0.75674 1.00000
Sr2 Sr 0.53938 0.90770 0.74326 1.00000
Sr3 Sr 0.46062 0.09230 0.25674 1.00000
Sr4 Sr 0.03938 0.59230 0.24326 1.00000
V1 V 0.50000 0.50000 0.00000 1.00000
V2 V 0.00000 0.00000 0.50000 1.00000
F1 F 0.84407 0.92927 0.26505 1.00000
F2 F 0.84794 0.72270 0.58809 1.00000
F3 F 0.80077 0.66206 0.94624 1.00000
F4 F 0.69923 0.16206 0.55376 1.00000
F5 F 0.65206 0.22270 0.91191 1.00000
F6 F 0.65593 0.42927 0.23495 1.00000
F7 F 0.15593 0.07073 0.73495 1.00000
F8 F 0.15206 0.27730 0.41191 1.00000
F9 F 0.19923 0.33794 0.05376 1.00000
F10 F 0.30077 0.83794 0.44624 1.00000
F11 F 0.34794 0.77730 0.08809 1.00000
F12 F 0.34407 0.57073 0.76505 1.00000
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