LiMn11Zn17
Alexandria ALEXAlex-ID: agm008697678 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB11C17_2_spg8
MnZn3 LiZn3 Mn
2024-06-24 11:51:16.656154
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008697678).
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 agm008697678
data_agm008697678
_cell_length_a 7.91663
_cell_length_b 7.91663
_cell_length_c 8.12162
_cell_angle_alpha 69.88300
_cell_angle_beta 69.88300
_cell_angle_gamma 108.57759
_cell_volume 389.82726
_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
Li1 Li 0.37785 0.37785 0.81175 1.00000
Mn1 Mn 0.17458 0.17458 0.19006 1.00000
Mn2 Mn 0.81143 0.64568 0.00683 1.00000
Mn3 Mn 0.34155 0.16894 0.64071 1.00000
Mn4 Mn 0.99088 0.80896 0.35326 1.00000
Mn5 Mn 0.00021 0.64692 0.17423 1.00000
Mn6 Mn 0.19013 0.83708 0.81502 1.00000
Mn7 Mn 0.83708 0.19013 0.81502 1.00000
Mn8 Mn 0.64692 0.00021 0.17423 1.00000
Mn9 Mn 0.80896 0.99088 0.35326 1.00000
Mn10 Mn 0.16894 0.34155 0.64071 1.00000
Mn11 Mn 0.64568 0.81143 0.00683 1.00000
Zn1 Zn 0.99649 0.99649 0.64576 1.00000
Zn2 Zn 0.69512 0.69512 0.71420 1.00000
Zn3 Zn 0.62976 0.62976 0.36967 1.00000
Zn4 Zn 0.40295 0.40295 0.28179 1.00000
Zn5 Zn 0.00796 0.00796 0.99736 1.00000
Zn6 Zn 0.60244 0.32122 0.00129 1.00000
Zn7 Zn 0.71995 0.39531 0.59567 1.00000
Zn8 Zn 0.31072 0.99471 0.40262 1.00000
Zn9 Zn 0.36636 0.00963 0.99586 1.00000
Zn10 Zn 0.67783 0.27430 0.32108 1.00000
Zn11 Zn 0.99835 0.60270 0.68812 1.00000
Zn12 Zn 0.60270 0.99835 0.68812 1.00000
Zn13 Zn 0.27430 0.67783 0.32108 1.00000
Zn14 Zn 0.00963 0.36636 0.99586 1.00000
Zn15 Zn 0.99471 0.31072 0.40262 1.00000
Zn16 Zn 0.39531 0.71995 0.59567 1.00000
Zn17 Zn 0.32122 0.60244 0.00129 1.00000
