K7Ge3BF22
Alexandria ALEXAlex-ID: agm010965808 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7D22_0_spg44
K2GeF6 KBF4
2024-11-05 13:37:50.590280
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010965808).
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 agm010965808
data_agm010965808
_cell_length_a 11.04958
_cell_length_b 11.04958
_cell_length_c 11.04958
_cell_angle_alpha 148.90893
_cell_angle_beta 126.42655
_cell_angle_gamma 63.24737
_cell_volume 554.99355
_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 0.23177 0.84559 0.38619 1.00000
K2 K 0.25711 0.65919 0.59792 1.00000
K3 K 0.93874 0.34081 0.59792 1.00000
K4 K 0.54060 0.15441 0.38619 1.00000
K5 K 0.69356 0.88797 0.80559 1.00000
K6 K 0.91762 0.11203 0.80559 1.00000
K7 K 0.41842 0.50000 0.91842 1.00000
Ge1 Ge 0.30742 0.28222 0.02520 1.00000
Ge2 Ge 0.19116 0.00000 0.19116 1.00000
Ge3 Ge 0.74298 0.71778 0.02520 1.00000
B1 B 0.79832 0.50000 0.29832 1.00000
F1 F 0.16423 0.44728 0.15012 1.00000
F2 F 0.13240 0.71305 0.98172 1.00000
F3 F 0.77504 0.89246 0.33255 1.00000
F4 F 0.44009 0.10754 0.88258 1.00000
F5 F 0.26867 0.28695 0.41935 1.00000
F6 F 0.37154 0.21549 0.15605 1.00000
F7 F 0.44009 0.55751 0.33255 1.00000
F8 F 0.77504 0.44249 0.88258 1.00000
F9 F 0.38098 0.00000 0.38098 1.00000
F10 F 0.81665 0.43790 0.37874 1.00000
F11 F 0.94084 0.56210 0.37874 1.00000
F12 F 0.71467 0.69681 0.41148 1.00000
F13 F 0.00902 0.00000 0.00902 1.00000
F14 F 0.16423 0.01410 0.71695 1.00000
F15 F 0.26867 0.84932 0.98172 1.00000
F16 F 0.70284 0.55272 0.71695 1.00000
F17 F 0.71467 0.30319 0.01786 1.00000
F18 F 0.53980 0.65143 0.88836 1.00000
F19 F 0.70284 0.98590 0.15012 1.00000
F20 F 0.23693 0.34857 0.88836 1.00000
F21 F 0.94056 0.78451 0.15605 1.00000
F22 F 0.13240 0.15068 0.41935 1.00000
