Nb2V3CrN6
Alexandria ALEXAlex-ID: agm046971607 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
NbN VN CrN
2024-08-08 02:40:23.032279
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm046971607).
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 agm046971607
data_agm046971607
_cell_length_a 5.22354
_cell_length_b 5.22354
_cell_length_c 5.21841
_cell_angle_alpha 80.53980
_cell_angle_beta 80.53980
_cell_angle_gamma 120.55698
_cell_volume 115.67826
_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
Nb1 Nb 0.66943 0.33057 0.00000 1.00000
Nb2 Nb 0.33057 0.66943 0.00000 1.00000
V1 V 0.82986 0.17014 0.50000 1.00000
V2 V 0.17014 0.82986 0.50000 1.00000
V3 V 0.50000 0.50000 0.50000 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
N1 N 0.59516 0.91233 0.26150 1.00000
N2 N 0.76665 0.76665 0.74037 1.00000
N3 N 0.40484 0.08767 0.73850 1.00000
N4 N 0.91233 0.59516 0.26150 1.00000
N5 N 0.23335 0.23335 0.25963 1.00000
N6 N 0.08767 0.40484 0.73850 1.00000
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