Np3Mn2SiN6
Alexandria ALEXAlex-ID: agm040980134 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Mn3N Np2MnN3 Si3N4
2024-10-22 15:51:27.269765
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040980134).
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 agm040980134
data_agm040980134
_cell_length_a 5.45720
_cell_length_b 5.45720
_cell_length_c 5.36673
_cell_angle_alpha 80.20175
_cell_angle_beta 80.20175
_cell_angle_gamma 119.47288
_cell_volume 130.97058
_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
Np1 Np 0.82094 0.17906 0.00000 1.00000
Np2 Np 0.17906 0.82094 0.00000 1.00000
Np3 Np 0.50000 0.50000 0.00000 1.00000
Mn1 Mn 0.66628 0.33372 0.50000 1.00000
Mn2 Mn 0.33372 0.66628 0.50000 1.00000
Si1 Si 0.00000 0.00000 0.50000 1.00000
N1 N 0.62062 0.93655 0.68803 1.00000
N2 N 0.75298 0.75298 0.29164 1.00000
N3 N 0.37938 0.06345 0.31197 1.00000
N4 N 0.93655 0.62062 0.68803 1.00000
N5 N 0.24702 0.24702 0.70836 1.00000
N6 N 0.06345 0.37938 0.31197 1.00000
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