MnMoN2
Alexandria ALEXAlex-ID: agm071069594 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_12274_spg1
MnMoN2
2024-10-14 20:17:15.334061
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071069594).
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 agm071069594
data_agm071069594
_cell_length_a 5.33275
_cell_length_b 5.52301
_cell_length_c 7.81166
_cell_angle_alpha 71.29620
_cell_angle_beta 71.88893
_cell_angle_gamma 75.45151
_cell_volume 204.17357
_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
Mn1 Mn 0.35096 0.04517 0.17174 1.00000
Mn2 Mn 0.44982 0.60761 0.47114 1.00000
Mn3 Mn 0.24458 0.47053 0.86829 1.00000
Mn4 Mn 0.82367 0.21461 0.10034 1.00000
Mo1 Mo 0.35428 0.55607 0.16841 1.00000
Mo2 Mo 0.43855 0.10181 0.45921 1.00000
Mo3 Mo 0.23525 0.97874 0.87637 1.00000
Mo4 Mo 0.82263 0.70186 0.12519 1.00000
N1 N 0.08687 0.21033 0.64567 1.00000
N2 N 0.66953 0.38095 0.31258 1.00000
N3 N 0.56123 0.84164 0.97742 1.00000
N4 N 0.67573 0.75870 0.54901 1.00000
N5 N 0.06165 0.89251 0.18023 1.00000
N6 N 0.44028 0.75317 0.67958 1.00000
N7 N 0.51967 0.31738 0.99685 1.00000
N8 N 0.19576 0.39407 0.65647 1.00000
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