K2LiMnF5
Alexandria ALEXAlex-ID: agm005152142 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_217_spg36
K2MnF4 LiF
2023-01-09 12:34:56.207723
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005152142).
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 agm005152142
data_agm005152142
_cell_length_a 3.42338
_cell_length_b 7.55964
_cell_length_c 11.24395
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.08669
_cell_volume 283.43113
_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 0.86708 0.73416 0.81880 1.00000
K2 K 0.09464 0.18928 0.67079 1.00000
K3 K 0.13292 0.26584 0.31880 1.00000
K4 K 0.90536 0.81072 0.17079 1.00000
Li1 Li 0.55431 0.10861 0.93907 1.00000
Li2 Li 0.44569 0.89139 0.43907 1.00000
Mn1 Mn 0.79428 0.58856 0.52550 1.00000
Mn2 Mn 0.20572 0.41144 0.02550 1.00000
F1 F 0.34519 0.69039 0.00443 1.00000
F2 F 0.68694 0.37388 0.90356 1.00000
F3 F 0.49985 0.99971 0.79359 1.00000
F4 F 0.28808 0.57616 0.64851 1.00000
F5 F 0.93995 0.87990 0.51972 1.00000
F6 F 0.65481 0.30961 0.50443 1.00000
F7 F 0.31306 0.62612 0.40356 1.00000
F8 F 0.50015 0.00029 0.29359 1.00000
F9 F 0.71192 0.42384 0.14851 1.00000
F10 F 0.06005 0.12010 0.01972 1.00000
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