Y2MgN6
Alexandria ALEXAlex-ID: agm097769856 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_4429_spg2
YN6 Mg3N2 YN
2025-04-07 03:26:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097769856).
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 agm097769856
data_agm097769856
_cell_length_a 4.09519
_cell_length_b 4.04398
_cell_length_c 7.78437
_cell_angle_alpha 94.77269
_cell_angle_beta 90.63594
_cell_angle_gamma 90.31289
_cell_volume 128.45834
_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 0.00461 0.04457 0.93837 1.00000
Y2 Y 0.97073 0.00569 0.54034 1.00000
Mg1 Mg 0.49330 0.52695 0.74537 1.00000
N1 N 0.86799 0.56948 0.12220 1.00000
N2 N 0.49712 0.08167 0.36916 1.00000
N3 N 0.49831 0.03902 0.81292 1.00000
N4 N 0.29260 0.08695 0.26201 1.00000
N5 N 0.99376 0.52782 0.68708 1.00000
N6 N 0.88158 0.61786 0.27254 1.00000
Get direct link