K7(MnSe2)4
Alexandria ALEXAlex-ID: agm008596396 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B7C8_3_spg15
K(MnSe2)4 K2MnSe2
2024-10-27 05:05:00.045805
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008596396).
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 agm008596396
data_agm008596396
_cell_length_a 10.62550
_cell_length_b 10.62550
_cell_length_c 16.81486
_cell_angle_alpha 62.49925
_cell_angle_beta 62.49925
_cell_angle_gamma 47.55985
_cell_volume 1209.55793
_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 0.25327 0.74673 0.75000 1.00000
K2 K 0.74673 0.25327 0.25000 1.00000
K3 K 0.24155 0.77472 0.50731 1.00000
K4 K 0.22528 0.75845 0.99269 1.00000
K5 K 0.75845 0.22528 0.49269 1.00000
K6 K 0.77472 0.24155 0.00731 1.00000
K7 K 0.55178 0.92000 0.87790 1.00000
K8 K 0.08000 0.44822 0.62210 1.00000
K9 K 0.44822 0.08000 0.12210 1.00000
K10 K 0.92000 0.55178 0.37790 1.00000
K11 K 0.55855 0.92510 0.63289 1.00000
K12 K 0.07490 0.44145 0.86711 1.00000
K13 K 0.44145 0.07490 0.36711 1.00000
K14 K 0.92510 0.55855 0.13289 1.00000
Mn1 Mn 0.55178 0.31249 0.85505 1.00000
Mn2 Mn 0.68751 0.44822 0.64495 1.00000
Mn3 Mn 0.44822 0.68751 0.14495 1.00000
Mn4 Mn 0.31249 0.55178 0.35505 1.00000
Mn5 Mn 0.82158 0.04747 0.72002 1.00000
Mn6 Mn 0.95253 0.17842 0.77998 1.00000
Mn7 Mn 0.17842 0.95253 0.27998 1.00000
Mn8 Mn 0.04747 0.82158 0.22002 1.00000
Se1 Se 0.50676 0.32382 0.71294 1.00000
Se2 Se 0.67618 0.49324 0.78706 1.00000
Se3 Se 0.49324 0.67618 0.28706 1.00000
Se4 Se 0.32382 0.50676 0.21294 1.00000
Se5 Se 0.82720 0.99908 0.88512 1.00000
Se6 Se 0.00092 0.17280 0.61488 1.00000
Se7 Se 0.17280 0.00092 0.11488 1.00000
Se8 Se 0.99908 0.82720 0.38512 1.00000
Se9 Se 0.43922 0.28278 0.46639 1.00000
Se10 Se 0.71722 0.56078 0.03361 1.00000
Se11 Se 0.56078 0.71722 0.53361 1.00000
Se12 Se 0.28278 0.43922 0.96639 1.00000
Se13 Se 0.20365 0.08750 0.81404 1.00000
Se14 Se 0.91250 0.79635 0.68596 1.00000
Se15 Se 0.79635 0.91250 0.18596 1.00000
Se16 Se 0.08750 0.20365 0.31404 1.00000
