Li2MnCl4
Alexandria ALEXAlex-ID: agm005223748 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_6_spg74
MnCl2 LiCl
2023-05-06 15:36:11.959323
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005223748).
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 agm005223748
data_agm005223748
_cell_length_a 7.45376
_cell_length_b 7.45376
_cell_length_c 7.45376
_cell_angle_alpha 120.20512
_cell_angle_beta 119.23962
_cell_angle_gamma 90.48356
_cell_volume 294.01927
_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 0.11004 0.36004 0.75000 1.00000
Li2 Li 0.50000 0.00000 0.00000 1.00000
Li3 Li 0.50000 0.50000 0.50000 1.00000
Li4 Li 0.88996 0.63996 0.25000 1.00000
Mn1 Mn 0.50000 0.00000 0.50000 1.00000
Mn2 Mn 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.25103 0.76376 0.01274 1.00000
Cl2 Cl 0.25103 0.23829 0.48726 1.00000
Cl3 Cl 0.25339 0.23740 0.01600 1.00000
Cl4 Cl 0.72140 0.23740 0.48400 1.00000
Cl5 Cl 0.27860 0.76260 0.51600 1.00000
Cl6 Cl 0.74661 0.76260 0.98400 1.00000
Cl7 Cl 0.74897 0.76171 0.51274 1.00000
Cl8 Cl 0.74897 0.23624 0.98726 1.00000
Get direct link