Mg3(CrN2)2
Alexandria ALEXAlex-ID: agm005265146 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_14_spg15
MgCrN2 Cr2N Mg3N2
2023-05-07 15:25:36.564472
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005265146).
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 agm005265146
data_agm005265146
_cell_length_a 6.22137
_cell_length_b 6.22137
_cell_length_c 5.44568
_cell_angle_alpha 89.43244
_cell_angle_beta 89.43244
_cell_angle_gamma 72.46149
_cell_volume 200.96422
_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
Mg1 Mg 0.01008 0.76501 0.47584 1.00000
Mg2 Mg 0.23499 0.98992 0.02416 1.00000
Mg3 Mg 0.98992 0.23499 0.52416 1.00000
Mg4 Mg 0.76501 0.01008 0.97584 1.00000
Mg5 Mg 0.40420 0.59580 0.25000 1.00000
Mg6 Mg 0.59580 0.40420 0.75000 1.00000
Cr1 Cr 0.82311 0.56654 0.10286 1.00000
Cr2 Cr 0.43346 0.17689 0.39714 1.00000
Cr3 Cr 0.17689 0.43346 0.89714 1.00000
Cr4 Cr 0.56654 0.82311 0.60286 1.00000
N1 N 0.05444 0.72455 0.06657 1.00000
N2 N 0.27545 0.94556 0.43343 1.00000
N3 N 0.94556 0.27545 0.93343 1.00000
N4 N 0.72455 0.05444 0.56657 1.00000
N5 N 0.73548 0.55678 0.43835 1.00000
N6 N 0.44322 0.26452 0.06165 1.00000
N7 N 0.26452 0.44322 0.56165 1.00000
N8 N 0.55678 0.73548 0.93835 1.00000
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