BaVF7
Alexandria ALEXAlex-ID: agm024180910 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_276_spg14
BaVF7
2025-03-19 06:15:19.509162
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024180910).
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 agm024180910
data_agm024180910
_cell_length_a 4.99901
_cell_length_b 12.64886
_cell_length_c 11.91968
_cell_angle_alpha 90.00000
_cell_angle_beta 95.92058
_cell_angle_gamma 90.00000
_cell_volume 749.68202
_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
Ba1 Ba 0.76192 0.60706 0.08275 1.00000
Ba2 Ba 0.23808 0.10706 0.41725 1.00000
Ba3 Ba 0.23808 0.39294 0.91725 1.00000
Ba4 Ba 0.76192 0.89294 0.58275 1.00000
V1 V 0.79010 0.22469 0.69734 1.00000
V2 V 0.20990 0.77531 0.30266 1.00000
V3 V 0.79010 0.27531 0.19734 1.00000
V4 V 0.20990 0.72469 0.80266 1.00000
F1 F 0.41415 0.75100 0.43470 1.00000
F2 F 0.92194 0.14116 0.20171 1.00000
F3 F 0.98885 0.20196 0.83218 1.00000
F4 F 0.01115 0.79804 0.16782 1.00000
F5 F 0.48775 0.73224 0.22701 1.00000
F6 F 0.06594 0.31648 0.11962 1.00000
F7 F 0.67750 0.08798 0.69874 1.00000
F8 F 0.51225 0.23224 0.27299 1.00000
F9 F 0.92194 0.35884 0.70171 1.00000
F10 F 0.01115 0.70196 0.66782 1.00000
F11 F 0.41415 0.74900 0.93470 1.00000
F12 F 0.58585 0.24900 0.56530 1.00000
F13 F 0.32250 0.58798 0.80126 1.00000
F14 F 0.74223 0.04907 0.44346 1.00000
F15 F 0.51225 0.26776 0.77299 1.00000
F16 F 0.48775 0.76776 0.72701 1.00000
F17 F 0.32250 0.91202 0.30126 1.00000
F18 F 0.58585 0.25100 0.06530 1.00000
F19 F 0.25777 0.54907 0.05654 1.00000
F20 F 0.07806 0.85884 0.79829 1.00000
F21 F 0.25777 0.95093 0.55654 1.00000
F22 F 0.67750 0.41202 0.19874 1.00000
F23 F 0.74223 0.45093 0.94346 1.00000
F24 F 0.93406 0.81648 0.38038 1.00000
F25 F 0.93406 0.68352 0.88038 1.00000
F26 F 0.06594 0.18352 0.61962 1.00000
F27 F 0.07806 0.64116 0.29829 1.00000
F28 F 0.98885 0.29804 0.33218 1.00000
