KMnAg3(CN)6
Alexandria ALEXAlex-ID: agm005265795 · Space group: P312 (#149)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D6E6_3_spg149
KC2N3 KN6 MnN C Ag
2023-05-07 11:17:32.708666
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005265795).
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 agm005265795
data_agm005265795
_cell_length_a 7.11752
_cell_length_b 7.11752
_cell_length_c 7.37079
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 323.37233
_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 0.00000 0.00000 1.00000
Mn1 Mn 0.33333 0.66667 0.00000 1.00000
Ag1 Ag 0.35591 0.17796 0.50000 1.00000
Ag2 Ag 0.82204 0.17796 0.50000 1.00000
Ag3 Ag 0.82204 0.64409 0.50000 1.00000
C1 C 0.34375 0.00064 0.27607 1.00000
C2 C 0.99936 0.65625 0.72393 1.00000
C3 C 0.65689 0.00064 0.72393 1.00000
C4 C 0.34375 0.34311 0.72393 1.00000
C5 C 0.65689 0.65625 0.27607 1.00000
C6 C 0.99936 0.34311 0.27607 1.00000
N1 N 0.33652 0.45121 0.84125 1.00000
N2 N 0.11469 0.45121 0.15875 1.00000
N3 N 0.33652 0.88531 0.15875 1.00000
N4 N 0.11469 0.66348 0.84125 1.00000
N5 N 0.54879 0.88531 0.84125 1.00000
N6 N 0.54879 0.66348 0.15875 1.00000
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