NiMo4N5
Alexandria ALEXAlex-ID: agm005506437 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_122_spg8
MoN2 Mo15N16 Ni
2023-03-20 23:06:41.056343
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506437).
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 agm005506437
data_agm005506437
_cell_length_a 3.99392
_cell_length_b 3.99392
_cell_length_c 9.87278
_cell_angle_alpha 72.76619
_cell_angle_beta 72.76619
_cell_angle_gamma 42.39162
_cell_volume 100.67229
_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
Ni1 Ni 0.19676 0.19676 0.20276 1.00000
Mo1 Mo 0.99627 0.99627 0.00427 1.00000
Mo2 Mo 0.79457 0.79457 0.80293 1.00000
Mo3 Mo 0.59968 0.59968 0.59920 1.00000
Mo4 Mo 0.40428 0.40428 0.39033 1.00000
N1 N 0.69151 0.69151 0.02313 1.00000
N2 N 0.49369 0.49369 0.83588 1.00000
N3 N 0.29873 0.29873 0.63472 1.00000
N4 N 0.10363 0.10363 0.43873 1.00000
N5 N 0.92282 0.92282 0.23475 1.00000
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