KMn3(MoN3)2
Alexandria ALEXAlex-ID: agm035919151 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_43_spg12
MnMoN2 K19(Mo2N5)6 MoN2 MnN
2024-10-15 13:03:55.384588
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035919151).
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 agm035919151
data_agm035919151
_cell_length_a 8.78261
_cell_length_b 8.78261
_cell_length_c 5.87908
_cell_angle_alpha 95.83767
_cell_angle_beta 95.83767
_cell_angle_gamma 18.72795
_cell_volume 144.82493
_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 0.00000 1.00000
Mn1 Mn 0.50000 0.50000 0.50000 1.00000
Mn2 Mn 0.80902 0.80902 0.15569 1.00000
Mn3 Mn 0.19098 0.19098 0.84431 1.00000
Mo1 Mo 0.83173 0.83173 0.66005 1.00000
Mo2 Mo 0.16827 0.16827 0.33995 1.00000
N1 N 0.32394 0.32394 0.91771 1.00000
N2 N 0.69898 0.69898 0.61217 1.00000
N3 N 0.67606 0.67606 0.08229 1.00000
N4 N 0.06138 0.06138 0.38039 1.00000
N5 N 0.93862 0.93862 0.61961 1.00000
N6 N 0.30102 0.30102 0.38783 1.00000
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