K5Mn2S5
Alexandria ALEXAlex-ID: agm005662233 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_24_spg12
K3MnS3 K2MnS2
2023-06-19 07:47:59.705327
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662233).
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 agm005662233
data_agm005662233
_cell_length_a 4.10227
_cell_length_b 7.48393
_cell_length_c 12.04859
_cell_angle_alpha 63.57162
_cell_angle_beta 80.19829
_cell_angle_gamma 74.09327
_cell_volume 318.06262
_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
K1 K 0.50000 0.50000 0.50000 1.00000
K2 K 0.34641 0.21345 0.09372 1.00000
K3 K 0.22234 0.18065 0.37467 1.00000
K4 K 0.77766 0.81935 0.62533 1.00000
K5 K 0.65359 0.78655 0.90628 1.00000
Mn1 Mn 0.96665 0.26722 0.79948 1.00000
Mn2 Mn 0.03335 0.73278 0.20052 1.00000
S1 S 0.89230 0.87033 0.34508 1.00000
S2 S 0.37559 0.45909 0.78972 1.00000
S3 S 0.62441 0.54091 0.21028 1.00000
S4 S 0.10770 0.12967 0.65492 1.00000
S5 S 0.00000 0.00000 0.00000 1.00000
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