Li3Mn2NbN6
Alexandria ALEXAlex-ID: agm032302258 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Li3(MnN2)2 LiNbN2 LiN3 MnN
2024-08-08 01:08:12.847076
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032302258).
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 agm032302258
data_agm032302258
_cell_length_a 6.75193
_cell_length_b 6.75193
_cell_length_c 6.05066
_cell_angle_alpha 74.11374
_cell_angle_beta 74.11374
_cell_angle_gamma 25.42095
_cell_volume 113.65185
_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
Li1 Li 0.50000 0.50000 0.50000 1.00000
Li2 Li 0.16762 0.16762 0.17953 1.00000
Li3 Li 0.83238 0.83238 0.82047 1.00000
Mn1 Mn 0.17439 0.17439 0.67141 1.00000
Mn2 Mn 0.82561 0.82561 0.32859 1.00000
Nb1 Nb 0.50000 0.50000 0.00000 1.00000
N1 N 0.66660 0.66660 0.89089 1.00000
N2 N 0.32195 0.32195 0.55852 1.00000
N3 N 0.33340 0.33340 0.10911 1.00000
N4 N 0.99107 0.99107 0.24545 1.00000
N5 N 0.00893 0.00893 0.75455 1.00000
N6 N 0.67805 0.67805 0.44148 1.00000
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