Li3(MnSn2)2
Alexandria ALEXAlex-ID: agm012749034 · Space group: Cccm (#66)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_350_spg15
MnSn Mn LiSn
2024-06-24 11:51:28.740433
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012749034).
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 agm012749034
data_agm012749034
_cell_length_a 9.24113
_cell_length_b 9.24113
_cell_length_c 5.45443
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 129.78747
_cell_volume 357.93216
_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 0.31138 0.68862 0.25000 1.00000
Li2 Li 0.68862 0.31138 0.25000 1.00000
Li3 Li 0.68862 0.31138 0.75000 1.00000
Li4 Li 0.31138 0.68862 0.75000 1.00000
Li5 Li 0.00000 0.00000 0.75000 1.00000
Li6 Li 0.00000 0.00000 0.25000 1.00000
Mn1 Mn 0.35299 0.99033 0.50000 1.00000
Mn2 Mn 0.99033 0.35299 0.00000 1.00000
Mn3 Mn 0.64701 0.00967 0.50000 1.00000
Mn4 Mn 0.00967 0.64701 0.00000 1.00000
Sn1 Sn 0.61970 0.70996 0.50000 1.00000
Sn2 Sn 0.70996 0.61970 0.00000 1.00000
Sn3 Sn 0.38030 0.29004 0.50000 1.00000
Sn4 Sn 0.29004 0.38030 0.00000 1.00000
Sn5 Sn 0.33294 0.00298 0.00000 1.00000
Sn6 Sn 0.00298 0.33294 0.50000 1.00000
Sn7 Sn 0.66706 0.99702 0.00000 1.00000
Sn8 Sn 0.99702 0.66706 0.50000 1.00000
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