K2Mn9CrS16
Alexandria ALEXAlex-ID: agm020537201 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9D16_1_spg10
KMnS2 Mn(CrS2)2 K(MnS2)4 MnS
2025-02-28 20:42:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020537201).
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 agm020537201
data_agm020537201
_cell_length_a 8.45023
_cell_length_b 3.42597
_cell_length_c 17.49679
_cell_angle_alpha 90.00000
_cell_angle_beta 102.44888
_cell_angle_gamma 90.00000
_cell_volume 494.62721
_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 0.00000 0.50000 0.00000 1.00000
K2 K 0.50000 0.00000 0.50000 1.00000
Mn1 Mn 0.63185 0.50000 0.79718 1.00000
Mn2 Mn 0.12632 0.00000 0.29291 1.00000
Mn3 Mn 0.87368 0.00000 0.70709 1.00000
Mn4 Mn 0.36815 0.50000 0.20282 1.00000
Mn5 Mn 0.33486 0.50000 0.84174 1.00000
Mn6 Mn 0.83029 0.00000 0.33849 1.00000
Mn7 Mn 0.16971 0.00000 0.66151 1.00000
Mn8 Mn 0.66514 0.50000 0.15826 1.00000
Mn9 Mn 0.50000 0.00000 0.00000 1.00000
Cr1 Cr 0.00000 0.50000 0.50000 1.00000
S1 S 0.25743 0.50000 0.58864 1.00000
S2 S 0.75446 0.00000 0.08608 1.00000
S3 S 0.24554 0.00000 0.91392 1.00000
S4 S 0.74257 0.50000 0.41136 1.00000
S5 S 0.08261 0.50000 0.74296 1.00000
S6 S 0.57713 0.00000 0.23853 1.00000
S7 S 0.42287 0.00000 0.76147 1.00000
S8 S 0.91739 0.50000 0.25704 1.00000
S9 S 0.68184 0.50000 0.67179 1.00000
S10 S 0.17614 0.00000 0.16719 1.00000
S11 S 0.82386 0.00000 0.83281 1.00000
S12 S 0.31816 0.50000 0.32821 1.00000
S13 S 0.59029 0.50000 0.92784 1.00000
S14 S 0.09158 0.00000 0.42558 1.00000
S15 S 0.90842 0.00000 0.57442 1.00000
S16 S 0.40971 0.50000 0.07216 1.00000
