Li4MnSn2Se7
Alexandria ALEXAlex-ID: agm005239891 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D7_12_spg9
Li2SnSe3 MnSe2 Li2Se SnSe
2023-05-11 09:14:26.181361
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005239891).
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 agm005239891
data_agm005239891
_cell_length_a 9.91794
_cell_length_b 9.91794
_cell_length_c 10.87131
_cell_angle_alpha 87.01050
_cell_angle_beta 87.01050
_cell_angle_gamma 43.30855
_cell_volume 732.34878
_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 0.18105 0.52801 0.41193 1.00000
Li2 Li 0.52801 0.18105 0.91193 1.00000
Li3 Li 0.22513 0.91183 0.33347 1.00000
Li4 Li 0.91183 0.22513 0.83347 1.00000
Li5 Li 0.31090 0.67894 0.69852 1.00000
Li6 Li 0.67894 0.31090 0.19852 1.00000
Li7 Li 0.38472 0.03945 0.61552 1.00000
Li8 Li 0.03945 0.38472 0.11552 1.00000
Mn1 Mn 0.63299 0.93152 0.25983 1.00000
Mn2 Mn 0.93152 0.63299 0.75983 1.00000
Sn1 Sn 0.81008 0.47139 0.47040 1.00000
Sn2 Sn 0.47139 0.81008 0.97040 1.00000
Sn3 Sn 0.77066 0.07641 0.53789 1.00000
Sn4 Sn 0.07641 0.77066 0.03789 1.00000
Se1 Se 0.68973 0.36870 0.63520 1.00000
Se2 Se 0.36870 0.68973 0.13520 1.00000
Se3 Se 0.54865 0.21908 0.35079 1.00000
Se4 Se 0.21908 0.54865 0.85079 1.00000
Se5 Se 0.64603 0.99571 0.70886 1.00000
Se6 Se 0.99571 0.64603 0.20886 1.00000
Se7 Se 0.93999 0.27280 0.27873 1.00000
Se8 Se 0.27280 0.93999 0.77873 1.00000
Se9 Se 0.07602 0.41535 0.57291 1.00000
Se10 Se 0.41535 0.07602 0.07291 1.00000
Se11 Se 0.51332 0.83768 0.41793 1.00000
Se12 Se 0.83768 0.51332 0.91793 1.00000
Se13 Se 0.13503 0.79333 0.49635 1.00000
Se14 Se 0.79333 0.13503 0.99635 1.00000
