YV2N3
Alexandria ALEXAlex-ID: agm015865701 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_35_spg14
VN YN
2024-10-15 12:02:38.366099
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015865701).
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}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm015865701
data_agm015865701
_cell_length_a 4.38105
_cell_length_b 6.49550
_cell_length_c 9.38139
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 266.96754
_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 0.75000 0.37550 0.58141 1.00000
Y2 Y 0.75000 0.87550 0.91859 1.00000
Y3 Y 0.25000 0.12450 0.08141 1.00000
Y4 Y 0.25000 0.62450 0.41859 1.00000
V1 V 0.75000 0.39918 0.22044 1.00000
V2 V 0.75000 0.89918 0.27956 1.00000
V3 V 0.75000 0.40029 0.92981 1.00000
V4 V 0.75000 0.90029 0.57019 1.00000
V5 V 0.25000 0.09971 0.42981 1.00000
V6 V 0.25000 0.59971 0.07019 1.00000
V7 V 0.25000 0.10082 0.72044 1.00000
V8 V 0.25000 0.60082 0.77956 1.00000
N1 N 0.75000 0.16038 0.09746 1.00000
N2 N 0.75000 0.66038 0.40254 1.00000
N3 N 0.75000 0.11842 0.41175 1.00000
N4 N 0.75000 0.61842 0.08825 1.00000
N5 N 0.75000 0.11232 0.73971 1.00000
N6 N 0.75000 0.61232 0.76029 1.00000
N7 N 0.25000 0.38768 0.23971 1.00000
N8 N 0.25000 0.88768 0.26029 1.00000
N9 N 0.25000 0.38158 0.91175 1.00000
N10 N 0.25000 0.88158 0.58825 1.00000
N11 N 0.25000 0.33962 0.59746 1.00000
N12 N 0.25000 0.83962 0.90254 1.00000
