Na2Mg(VN2)3
Alexandria ALEXAlex-ID: agm045659828 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
NaVN2 Mg2VN3 VN
2024-08-08 02:11:42.759577
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045659828).
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 agm045659828
data_agm045659828
_cell_length_a 5.07880
_cell_length_b 5.07880
_cell_length_c 5.59969
_cell_angle_alpha 81.33434
_cell_angle_beta 81.33434
_cell_angle_gamma 120.00089
_cell_volume 119.27287
_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
Na1 Na 0.66719 0.33281 0.50000 1.00000
Na2 Na 0.33281 0.66719 0.50000 1.00000
Mg1 Mg 0.00000 0.00000 0.50000 1.00000
V1 V 0.83550 0.16450 0.00000 1.00000
V2 V 0.16450 0.83550 0.00000 1.00000
V3 V 0.50000 0.50000 0.00000 1.00000
N1 N 0.58001 0.90129 0.79560 1.00000
N2 N 0.77634 0.77634 0.20885 1.00000
N3 N 0.41999 0.09871 0.20440 1.00000
N4 N 0.90129 0.58001 0.79560 1.00000
N5 N 0.22366 0.22366 0.79115 1.00000
N6 N 0.09871 0.41999 0.20440 1.00000
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