KRb2BiF6
Alexandria ALEXAlex-ID: agm017666597 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_376_spg139
KRb2BiF6
2024-11-01 18:49:13.191498
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017666597).
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
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# CIF generated by HEAS from Alexandria entry agm017666597
data_agm017666597
_cell_length_a 6.70418
_cell_length_b 6.70418
_cell_length_c 6.77511
_cell_angle_alpha 60.40173
_cell_angle_beta 60.40173
_cell_angle_gamma 60.30194
_cell_volume 217.11796
_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 0.50209 0.49791 0.50000 1.00000
Rb1 Rb 0.76080 0.73469 0.77087 1.00000
Rb2 Rb 0.26531 0.23920 0.22913 1.00000
Bi1 Bi 0.00101 0.99899 0.00000 1.00000
F1 F 0.70838 0.17142 0.82877 1.00000
F2 F 0.82858 0.29162 0.17123 1.00000
F3 F 0.30290 0.82065 0.16316 1.00000
F4 F 0.75112 0.79616 0.33272 1.00000
F5 F 0.17935 0.69710 0.83684 1.00000
F6 F 0.20384 0.24888 0.66728 1.00000
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