V7N9
Alexandria ALEXAlex-ID: agm008319987 · 空间群: R3 (#146)
基础信息
组成
能量与稳定性
电子结构
其他信息
A7B9_181_spg146
VN N2
2024-08-13 18:21:09.729304
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008319987).
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 agm008319987
data_agm008319987
_cell_length_a 7.86636
_cell_length_b 7.86636
_cell_length_c 7.86636
_cell_angle_alpha 36.21281
_cell_angle_beta 36.21281
_cell_angle_gamma 36.21281
_cell_volume 152.01581
_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 0.00958 0.00958 0.00958 1.00000
V2 V 0.81286 0.81286 0.81286 1.00000
V3 V 0.46119 0.46119 0.46119 1.00000
V4 V 0.58004 0.58004 0.58004 1.00000
V5 V 0.13308 0.13308 0.13308 1.00000
V6 V 0.25385 0.25385 0.25385 1.00000
V7 V 0.69517 0.69517 0.69517 1.00000
N1 N 0.62757 0.32506 0.96296 1.00000
N2 N 0.32506 0.96296 0.62757 1.00000
N3 N 0.96296 0.62757 0.32506 1.00000
N4 N 0.50507 0.20882 0.85464 1.00000
N5 N 0.20882 0.85464 0.50507 1.00000
N6 N 0.85464 0.50507 0.20882 1.00000
N7 N 0.07170 0.41501 0.75717 1.00000
N8 N 0.75717 0.07170 0.41501 1.00000
N9 N 0.41501 0.75717 0.07170 1.00000
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