MoH7N2
Alexandria ALEXAlex-ID: agm006204589 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_560_spg12
MoH H3N
2024-02-07 12:09:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006204589).
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
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# CIF generated by HEAS from Alexandria entry agm006204589
data_agm006204589
_cell_length_a 5.40462
_cell_length_b 7.94678
_cell_length_c 2.89245
_cell_angle_alpha 120.01827
_cell_angle_beta 84.80246
_cell_angle_gamma 125.29900
_cell_volume 84.25506
_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
H1 H 0.36028 0.52866 0.51898 1.00000
H2 H 0.01974 0.80573 0.28032 1.00000
H3 H 0.64159 0.22738 0.02893 1.00000
H4 H 0.33686 0.76041 0.86374 1.00000
H5 H 0.49417 0.72700 0.34682 1.00000
H6 H 0.63203 0.35778 0.68971 1.00000
H7 H 0.00342 0.15879 0.76636 1.00000
Mo1 Mo 0.03662 0.99518 0.03849 1.00000
N1 N 0.47901 0.71354 0.68289 1.00000
N2 N 0.49628 0.22552 0.28375 1.00000
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