BMoN3
Alexandria ALEXAlex-ID: agm005247804 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4616_spg2
MoN2 BN
2023-05-08 00:19:19.935823
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005247804).
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 agm005247804
data_agm005247804
_cell_length_a 5.63764
_cell_length_b 7.43709
_cell_length_c 7.92034
_cell_angle_alpha 96.60135
_cell_angle_beta 108.57797
_cell_angle_gamma 98.22568
_cell_volume 306.94276
_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
B1 B 0.78713 0.76144 0.43967 1.00000
B2 B 0.21287 0.23856 0.56033 1.00000
B3 B 0.09414 0.96024 0.29316 1.00000
B4 B 0.90586 0.03976 0.70684 1.00000
Mo1 Mo 0.91950 0.69624 0.07526 1.00000
Mo2 Mo 0.08050 0.30376 0.92474 1.00000
Mo3 Mo 0.33629 0.38765 0.30637 1.00000
Mo4 Mo 0.66371 0.61235 0.69363 1.00000
N1 N 0.91732 0.81348 0.31878 1.00000
N2 N 0.08268 0.18652 0.68122 1.00000
N3 N 0.05659 0.46704 0.16600 1.00000
N4 N 0.94341 0.53296 0.83400 1.00000
N5 N 0.15658 0.89357 0.12187 1.00000
N6 N 0.84342 0.10643 0.87813 1.00000
N7 N 0.19867 0.14345 0.38656 1.00000
N8 N 0.80133 0.85655 0.61344 1.00000
N9 N 0.38217 0.26785 0.10432 1.00000
N10 N 0.61783 0.73215 0.89568 1.00000
N11 N 0.37768 0.41704 0.59352 1.00000
N12 N 0.62232 0.58296 0.40648 1.00000
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