K4Cu3F10
Alexandria ALEXAlex-ID: agm008293012 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C10_1_spg2
K4Cu3F10
2024-04-21 19:39:41.647568
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008293012).
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 agm008293012
data_agm008293012
_cell_length_a 7.14027
_cell_length_b 7.14027
_cell_length_c 7.70464
_cell_angle_alpha 67.46507
_cell_angle_beta 67.46507
_cell_angle_gamma 48.69849
_cell_volume 267.71641
_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 0.17708 0.17708 0.23209 1.00000
K2 K 0.82292 0.82292 0.76791 1.00000
K3 K 0.54037 0.54037 0.71686 1.00000
K4 K 0.45963 0.45963 0.28314 1.00000
Cu1 Cu 0.79897 0.79897 0.30969 1.00000
Cu2 Cu 0.20103 0.20103 0.69031 1.00000
Cu3 Cu 0.00000 0.00000 0.00000 1.00000
F1 F 0.65191 0.10956 0.06349 1.00000
F2 F 0.34609 0.34609 0.70106 1.00000
F3 F 0.05191 0.05191 0.67400 1.00000
F4 F 0.34809 0.89044 0.93651 1.00000
F5 F 0.94809 0.94809 0.32600 1.00000
F6 F 0.89044 0.34809 0.93651 1.00000
F7 F 0.10956 0.65191 0.06349 1.00000
F8 F 0.50000 0.00000 0.50000 1.00000
F9 F 0.00000 0.50000 0.50000 1.00000
F10 F 0.65391 0.65391 0.29894 1.00000
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