MgV2(CrN2)3
Alexandria ALEXAlex-ID: agm034961791 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
MgCrN2 VN CrN
2024-10-15 01:19:45.509010
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034961791).
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 agm034961791
data_agm034961791
_cell_length_a 6.51720
_cell_length_b 6.51720
_cell_length_c 5.84364
_cell_angle_alpha 79.29773
_cell_angle_beta 79.29773
_cell_angle_gamma 26.32904
_cell_volume 108.06332
_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 0.50000 0.50000 0.50000 1.00000
V1 V 0.16304 0.16304 0.15940 1.00000
V2 V 0.83696 0.83696 0.84060 1.00000
Cr1 Cr 0.50000 0.50000 0.00000 1.00000
Cr2 Cr 0.16741 0.16741 0.66805 1.00000
Cr3 Cr 0.83259 0.83259 0.33195 1.00000
N1 N 0.67126 0.67126 0.41381 1.00000
N2 N 0.33470 0.33470 0.08611 1.00000
N3 N 0.32874 0.32874 0.58619 1.00000
N4 N 0.99781 0.99781 0.76096 1.00000
N5 N 0.00219 0.00219 0.23904 1.00000
N6 N 0.66530 0.66530 0.91389 1.00000
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