K3(MnN2)2
Alexandria ALEXAlex-ID: agm005651497 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_727_spg74
K3(MnN2)2
2023-06-27 20:20:41.030295
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651497).
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 agm005651497
data_agm005651497
_cell_length_a 5.76379
_cell_length_b 7.89725
_cell_length_c 9.15635
_cell_angle_alpha 115.54650
_cell_angle_beta 108.34525
_cell_angle_gamma 90.00002
_cell_volume 352.41041
_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 0.10184 0.53713 0.20367 1.00000
K2 K 0.39816 0.83346 0.79633 1.00000
K3 K 0.89816 0.46287 0.79633 1.00000
K4 K 0.60184 0.16654 0.20367 1.00000
K5 K 0.75000 0.80444 0.50000 1.00000
K6 K 0.25000 0.19556 0.50000 1.00000
Mn1 Mn 0.46577 0.33136 0.93153 1.00000
Mn2 Mn 0.03423 0.89982 0.06847 1.00000
Mn3 Mn 0.53423 0.66864 0.06847 1.00000
Mn4 Mn 0.96577 0.10018 0.93153 1.00000
N1 N 0.57809 0.49963 0.15617 1.00000
N2 N 0.92191 0.84345 0.84383 1.00000
N3 N 0.42191 0.50037 0.84383 1.00000
N4 N 0.07809 0.15655 0.15617 1.00000
N5 N 0.18961 0.18961 0.87921 1.00000
N6 N 0.31039 0.81039 0.12079 1.00000
N7 N 0.81039 0.81039 0.12079 1.00000
N8 N 0.68961 0.18961 0.87921 1.00000
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