KRe2F11
Alexandria ALEXAlex-ID: agm020044479 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C11_1_spg72
KReF6 ReF6 Re
2025-01-06 22:25:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020044479).
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 agm020044479
data_agm020044479
_cell_length_a 8.75229
_cell_length_b 8.75229
_cell_length_c 8.75229
_cell_angle_alpha 114.39521
_cell_angle_beta 113.16387
_cell_angle_gamma 101.16350
_cell_volume 508.07360
_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 0.25000 0.25000 0.00000 1.00000
K2 K 0.75000 0.75000 0.00000 1.00000
Re1 Re 0.15567 0.64795 0.80363 1.00000
Re2 Re 0.84433 0.35205 0.19637 1.00000
Re3 Re 0.34433 0.14795 0.49228 1.00000
Re4 Re 0.65567 0.85205 0.50772 1.00000
F1 F 0.12940 0.42293 0.79487 1.00000
F2 F 0.87060 0.57707 0.20513 1.00000
F3 F 0.62806 0.33454 0.20513 1.00000
F4 F 0.37060 0.16546 0.29352 1.00000
F5 F 0.37194 0.66546 0.79487 1.00000
F6 F 0.62940 0.83454 0.70648 1.00000
F7 F 0.87194 0.07707 0.70648 1.00000
F8 F 0.12806 0.92293 0.29352 1.00000
F9 F 0.00000 0.50000 0.50000 1.00000
F10 F 0.50000 0.00000 0.50000 1.00000
F11 F 0.29873 0.78216 0.08089 1.00000
F12 F 0.70127 0.21784 0.91911 1.00000
F13 F 0.20127 0.28216 0.48343 1.00000
F14 F 0.79873 0.71784 0.51657 1.00000
F15 F 0.93816 0.62950 0.81006 1.00000
F16 F 0.06184 0.37050 0.18994 1.00000
F17 F 0.81944 0.12810 0.18994 1.00000
F18 F 0.56184 0.37190 0.69134 1.00000
F19 F 0.18056 0.87190 0.81006 1.00000
F20 F 0.43816 0.62810 0.30866 1.00000
F21 F 0.68056 0.87050 0.30866 1.00000
F22 F 0.31944 0.12950 0.69134 1.00000
