Li2Pu2MnS6
Alexandria ALEXAlex-ID: agm004586151 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_25_spg12
Li(MnS2)4 PuS2 Pu2S3 Li2S
2022-06-24 03:12:25.016125
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004586151).
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 agm004586151
data_agm004586151
_cell_length_a 6.60324
_cell_length_b 6.60324
_cell_length_c 6.41482
_cell_angle_alpha 98.81215
_cell_angle_beta 98.81215
_cell_angle_gamma 120.15254
_cell_volume 230.17021
_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 0.83578 0.16422 0.00000 1.00000
Li2 Li 0.16422 0.83578 0.00000 1.00000
Pu1 Pu 0.33457 0.66543 0.50000 1.00000
Pu2 Pu 0.66543 0.33457 0.50000 1.00000
Mn1 Mn 0.00000 0.00000 0.50000 1.00000
S1 S 0.78061 0.78061 0.73042 1.00000
S2 S 0.07237 0.39864 0.74211 1.00000
S3 S 0.21939 0.21939 0.26958 1.00000
S4 S 0.39864 0.07237 0.74211 1.00000
S5 S 0.92763 0.60136 0.25789 1.00000
S6 S 0.60136 0.92763 0.25789 1.00000
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