K5Mn2Se5
Alexandria ALEXAlex-ID: agm005647050 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_24_spg12
K3MnSe3 K2MnSe2
2023-06-19 01:02:30.165497
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647050).
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 agm005647050
data_agm005647050
_cell_length_a 4.27541
_cell_length_b 7.78076
_cell_length_c 12.58970
_cell_angle_alpha 63.78687
_cell_angle_beta 80.21803
_cell_angle_gamma 74.05344
_cell_volume 360.70582
_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 0.34597 0.21179 0.09633 1.00000
K3 K 0.22197 0.18037 0.37581 1.00000
K4 K 0.77803 0.81963 0.62419 1.00000
K5 K 0.65403 0.78821 0.90367 1.00000
Mn1 Mn 0.96426 0.27223 0.79835 1.00000
Mn2 Mn 0.03574 0.72777 0.20165 1.00000
Se1 Se 0.89181 0.86888 0.34777 1.00000
Se2 Se 0.37011 0.46754 0.79165 1.00000
Se3 Se 0.62989 0.53246 0.20835 1.00000
Se4 Se 0.10819 0.13112 0.65223 1.00000
Se5 Se 0.00000 0.00000 0.00000 1.00000
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