LiCe2MnS5
Alexandria ALEXAlex-ID: agm005159028 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_200_spg36
Li6MnS4 Ce3MnS6 Li(MnS2)2 Li2S
2023-01-09 18:03:24.243920
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005159028).
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 agm005159028
data_agm005159028
_cell_length_a 3.95323
_cell_length_b 8.59396
_cell_length_c 10.80202
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.29710
_cell_volume 357.14842
_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 0.78031 0.56061 0.50169 1.00000
Li2 Li 0.21969 0.43939 0.00169 1.00000
Ce1 Ce 0.88649 0.77298 0.80316 1.00000
Ce2 Ce 0.12385 0.24770 0.68693 1.00000
Ce3 Ce 0.11351 0.22702 0.30316 1.00000
Ce4 Ce 0.87615 0.75230 0.18693 1.00000
Mn1 Mn 0.59070 0.18139 0.98455 1.00000
Mn2 Mn 0.40930 0.81861 0.48455 1.00000
S1 S 0.35964 0.71928 0.99844 1.00000
S2 S 0.70131 0.40262 0.84197 1.00000
S3 S 0.51508 0.03015 0.79425 1.00000
S4 S 0.30967 0.61934 0.65190 1.00000
S5 S 0.96915 0.93831 0.56109 1.00000
S6 S 0.64036 0.28072 0.49844 1.00000
S7 S 0.29869 0.59738 0.34197 1.00000
S8 S 0.48492 0.96985 0.29425 1.00000
S9 S 0.69033 0.38066 0.15190 1.00000
S10 S 0.03085 0.06169 0.06109 1.00000
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