Y(MoN2)2
Alexandria ALEXAlex-ID: agm003453020 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_731_spg63
MoN2 YMoN2
2022-02-18 08:30:24.799744
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003453020).
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 agm003453020
data_agm003453020
_cell_length_a 3.15464
_cell_length_b 5.25775
_cell_length_c 10.15405
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 107.45754
_cell_volume 160.66049
_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
Y1 Y 0.62622 0.25244 0.75000 1.00000
Y2 Y 0.37378 0.74756 0.25000 1.00000
Mo1 Mo 0.11816 0.23632 0.43611 1.00000
Mo2 Mo 0.88184 0.76368 0.93611 1.00000
Mo3 Mo 0.11816 0.23632 0.06389 1.00000
Mo4 Mo 0.88184 0.76368 0.56389 1.00000
N1 N 0.76496 0.52992 0.10799 1.00000
N2 N 0.76496 0.52992 0.39201 1.00000
N3 N 0.23504 0.47008 0.89201 1.00000
N4 N 0.23504 0.47008 0.60799 1.00000
N5 N 0.93587 0.87175 0.75000 1.00000
N6 N 0.06413 0.12825 0.25000 1.00000
N7 N 0.50000 0.00000 0.00000 1.00000
N8 N 0.50000 0.00000 0.50000 1.00000
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