K4LiMn4O8
Alexandria ALEXAlex-ID: agm005257550 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4D8_10_spg6
KMnO2 KLiMnO2
2023-05-07 14:06:30.996749
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005257550).
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 agm005257550
data_agm005257550
_cell_length_a 3.01778
_cell_length_b 6.60048
_cell_length_c 13.30412
_cell_angle_alpha 89.76590
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 264.99985
_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 0.50000 0.61434 0.14813 1.00000
K2 K 0.50000 0.94863 0.69807 1.00000
K3 K 0.00000 0.39637 0.84416 1.00000
K4 K 0.00000 0.09198 0.31928 1.00000
Li1 Li 0.50000 0.80884 0.50224 1.00000
Mn1 Mn 0.50000 0.11818 0.08701 1.00000
Mn2 Mn 0.00000 0.89320 0.92143 1.00000
Mn3 Mn 0.00000 0.57337 0.39731 1.00000
Mn4 Mn 0.50000 0.41095 0.58048 1.00000
O1 O 0.00000 0.29288 0.12668 1.00000
O2 O 0.50000 0.71618 0.88465 1.00000
O3 O 0.50000 0.75669 0.36109 1.00000
O4 O 0.00000 0.25263 0.64530 1.00000
O5 O 0.00000 0.91685 0.08433 1.00000
O6 O 0.50000 0.09432 0.92108 1.00000
O7 O 0.00000 0.67087 0.54805 1.00000
O8 O 0.50000 0.38125 0.41029 1.00000
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