KInF4
Alexandria ALEXAlex-ID: agm078552607 · Space group: Pbcn (#60)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_113_spg14
KIn2F7 K5In3F14
2025-01-09 09:30:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078552607).
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 agm078552607
data_agm078552607
_cell_length_a 5.57091
_cell_length_b 5.82928
_cell_length_c 14.41559
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 468.13786
_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 0.50000 0.17030 1.00000
K2 K 0.75000 0.50000 0.82970 1.00000
K3 K 0.75000 0.00000 0.32970 1.00000
K4 K 0.25000 0.00000 0.67030 1.00000
In1 In 0.25000 0.50000 0.43120 1.00000
In2 In 0.75000 0.50000 0.56880 1.00000
In3 In 0.75000 0.00000 0.06880 1.00000
In4 In 0.25000 0.00000 0.93120 1.00000
F1 F 0.12401 0.71823 0.33174 1.00000
F2 F 0.87599 0.28177 0.66826 1.00000
F3 F 0.62401 0.78177 0.16826 1.00000
F4 F 0.37599 0.21823 0.83174 1.00000
F5 F 0.87599 0.21823 0.16826 1.00000
F6 F 0.12401 0.78177 0.83174 1.00000
F7 F 0.37599 0.28177 0.33174 1.00000
F8 F 0.62401 0.71823 0.66826 1.00000
F9 F 0.57474 0.80868 0.95853 1.00000
F10 F 0.42526 0.19132 0.04147 1.00000
F11 F 0.07474 0.69132 0.54147 1.00000
F12 F 0.92526 0.30868 0.45853 1.00000
F13 F 0.42526 0.30868 0.54147 1.00000
F14 F 0.57474 0.69132 0.45853 1.00000
F15 F 0.92526 0.19132 0.95853 1.00000
F16 F 0.07474 0.80868 0.04147 1.00000
