Mo4HN8
Alexandria ALEXAlex-ID: agm098305529 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_907_spg1
Mo15N16 MoN2 H3N
2025-04-29 19:24:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098305529).
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 agm098305529
data_agm098305529
_cell_length_a 3.92871
_cell_length_b 7.67719
_cell_length_c 5.34297
_cell_angle_alpha 52.44809
_cell_angle_beta 84.27353
_cell_angle_gamma 92.82856
_cell_volume 125.87799
_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
Mo1 Mo 0.00874 0.85887 0.04481 1.00000
Mo2 Mo 0.98020 0.47052 0.00721 1.00000
Mo3 Mo 0.10295 0.38113 0.56205 1.00000
Mo4 Mo 0.83085 0.94652 0.46289 1.00000
H1 H 0.97786 0.12542 0.99764 1.00000
N1 N 0.19048 0.19058 0.39913 1.00000
N2 N 0.30126 0.63242 0.09436 1.00000
N3 N 0.36178 0.61184 0.60946 1.00000
N4 N 0.60803 0.30429 0.52844 1.00000
N5 N 0.31443 0.84695 0.37404 1.00000
N6 N 0.55265 0.20027 0.39754 1.00000
N7 N 0.72475 0.62238 0.60460 1.00000
N8 N 0.54602 0.80882 0.91784 1.00000
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