V2AgN3
Alexandria ALEXAlex-ID: agm005257569 · Space group: P3_121 (#152)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_572_spg166
N2 Ag VN
2023-05-07 15:05:03.515081
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005257569).
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 agm005257569
data_agm005257569
_cell_length_a 2.94955
_cell_length_b 2.94955
_cell_length_c 26.21696
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 197.52652
_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
V1 V 0.76597 0.71062 0.21382 1.00000
V2 V 0.94464 0.23403 0.88049 1.00000
V3 V 0.28938 0.05536 0.54715 1.00000
V4 V 0.23403 0.94464 0.11951 1.00000
V5 V 0.71062 0.76597 0.78618 1.00000
V6 V 0.05536 0.28938 0.45285 1.00000
Ag1 Ag 0.00000 0.36238 0.66667 1.00000
Ag2 Ag 0.36238 0.00000 0.33333 1.00000
Ag3 Ag 0.63762 0.63762 0.00000 1.00000
N1 N 0.00000 0.32711 0.16667 1.00000
N2 N 0.32711 0.00000 0.83333 1.00000
N3 N 0.67289 0.67289 0.50000 1.00000
N4 N 0.35552 0.98992 0.41512 1.00000
N5 N 0.63439 0.64448 0.08179 1.00000
N6 N 0.01008 0.36561 0.74845 1.00000
N7 N 0.64448 0.63439 0.91821 1.00000
N8 N 0.98992 0.35552 0.58488 1.00000
N9 N 0.36561 0.01008 0.25155 1.00000
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