Mg8(MnN3)3
Alexandria ALEXAlex-ID: agm006236205 · Space group: P2/c (#13)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B8C9_5_spg13
MgMnN2 Mn2N Mg3N2
2024-10-31 09:48:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006236205).
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 agm006236205
data_agm006236205
_cell_length_a 4.35172
_cell_length_b 7.01981
_cell_length_c 14.98562
_cell_angle_alpha 97.68356
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 453.67433
_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
Mg1 Mg 0.74982 0.49836 0.92215 1.00000
Mg2 Mg 0.74982 0.00164 0.57785 1.00000
Mg3 Mg 0.25018 0.50164 0.07785 1.00000
Mg4 Mg 0.25018 0.99836 0.42215 1.00000
Mg5 Mg 0.75054 0.04666 0.28745 1.00000
Mg6 Mg 0.75054 0.45334 0.21255 1.00000
Mg7 Mg 0.24946 0.95334 0.71255 1.00000
Mg8 Mg 0.24946 0.54666 0.78745 1.00000
Mg9 Mg 0.75029 0.80441 0.10915 1.00000
Mg10 Mg 0.75029 0.69559 0.39085 1.00000
Mg11 Mg 0.24971 0.19559 0.89085 1.00000
Mg12 Mg 0.24971 0.30441 0.60915 1.00000
Mg13 Mg 0.25052 0.12559 0.15722 1.00000
Mg14 Mg 0.25052 0.37441 0.34278 1.00000
Mg15 Mg 0.74948 0.87441 0.84278 1.00000
Mg16 Mg 0.74948 0.62559 0.65722 1.00000
Mn1 Mn 0.26213 0.75000 0.25000 1.00000
Mn2 Mn 0.73787 0.25000 0.75000 1.00000
Mn3 Mn 0.75048 0.26504 0.46109 1.00000
Mn4 Mn 0.75048 0.23496 0.03891 1.00000
Mn5 Mn 0.24952 0.73496 0.53891 1.00000
Mn6 Mn 0.24952 0.76504 0.96109 1.00000
N1 N 0.75020 0.01729 0.43265 1.00000
N2 N 0.75020 0.48271 0.06735 1.00000
N3 N 0.24980 0.98271 0.56735 1.00000
N4 N 0.24980 0.51729 0.93265 1.00000
N5 N 0.73867 0.75000 0.25000 1.00000
N6 N 0.26133 0.25000 0.75000 1.00000
N7 N 0.24970 0.82404 0.07813 1.00000
N8 N 0.24970 0.67596 0.42187 1.00000
N9 N 0.75030 0.17596 0.92187 1.00000
N10 N 0.75030 0.32404 0.57813 1.00000
N11 N 0.24969 0.04014 0.28550 1.00000
N12 N 0.24969 0.45986 0.21450 1.00000
N13 N 0.75031 0.95986 0.71450 1.00000
N14 N 0.75031 0.54014 0.78550 1.00000
N15 N 0.75052 0.38117 0.36591 1.00000
N16 N 0.75052 0.11883 0.13409 1.00000
N17 N 0.24948 0.61883 0.63409 1.00000
N18 N 0.24948 0.88117 0.86591 1.00000
