KRb2VF5
Alexandria ALEXAlex-ID: agm005178147 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_208_spg71
KRb2VF6 RbF KF V
2023-01-20 13:11:03.407064
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005178147).
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 agm005178147
data_agm005178147
_cell_length_a 4.18966
_cell_length_b 6.29717
_cell_length_c 7.57794
_cell_angle_alpha 114.55042
_cell_angle_beta 106.04774
_cell_angle_gamma 90.00000
_cell_volume 173.25296
_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
K1 K 0.00000 0.50000 0.00000 1.00000
Rb1 Rb 0.21365 0.21365 0.42729 1.00000
Rb2 Rb 0.78635 0.78635 0.57271 1.00000
V1 V 0.50000 0.00000 0.00000 1.00000
F1 F 0.61619 0.87758 0.23238 1.00000
F2 F 0.38381 0.12242 0.76762 1.00000
F3 F 0.38381 0.64520 0.76762 1.00000
F4 F 0.61619 0.35480 0.23238 1.00000
F5 F 0.00000 0.00000 0.00000 1.00000
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