YV2N3
Alexandria ALEXAlex-ID: agm033441722 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
VN YN
2024-10-14 20:34:46.219504
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033441722).
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 agm033441722
data_agm033441722
_cell_length_a 10.48213
_cell_length_b 10.05062
_cell_length_c 5.35568
_cell_angle_alpha 79.38928
_cell_angle_beta 70.46521
_cell_angle_gamma 30.14550
_cell_volume 260.38813
_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
Y1 Y 0.08471 0.08471 0.91529 1.00000
Y2 Y 0.16529 0.16529 0.33471 1.00000
Y3 Y 0.33471 0.33471 0.16529 1.00000
Y4 Y 0.91529 0.91529 0.08471 1.00000
V1 V 0.50436 0.50436 0.99564 1.00000
V2 V 0.56764 0.56764 0.43236 1.00000
V3 V 0.68236 0.68236 0.81764 1.00000
V4 V 0.74564 0.74564 0.25436 1.00000
V5 V 0.25436 0.25436 0.74564 1.00000
V6 V 0.81764 0.81764 0.68236 1.00000
V7 V 0.43236 0.43236 0.56764 1.00000
V8 V 0.99564 0.99564 0.50436 1.00000
N1 N 0.79868 0.35719 0.66689 1.00000
N2 N 0.35719 0.79868 0.17723 1.00000
N3 N 0.45132 0.89281 0.58311 1.00000
N4 N 0.89281 0.45132 0.07277 1.00000
N5 N 0.98406 0.51594 0.51594 1.00000
N6 N 0.51594 0.98406 0.98406 1.00000
N7 N 0.07277 0.58311 0.89281 1.00000
N8 N 0.58311 0.07277 0.45132 1.00000
N9 N 0.17723 0.66689 0.35719 1.00000
N10 N 0.66689 0.17723 0.79868 1.00000
N11 N 0.26594 0.73406 0.73406 1.00000
N12 N 0.73406 0.26594 0.26594 1.00000
