Nb3V8
Alexandria ALEXAlex-ID: agm007809796 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B8_7_spg12
NbV2 V
2024-10-23 00:37:44.853212
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007809796).
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 agm007809796
data_agm007809796
_cell_length_a 5.15165
_cell_length_b 5.15165
_cell_length_c 11.20320
_cell_angle_alpha 74.14548
_cell_angle_beta 74.14548
_cell_angle_gamma 35.08287
_cell_volume 163.72741
_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 0.00000 0.00000 0.00000 1.00000
Nb2 Nb 0.91034 0.91034 0.63842 1.00000
Nb3 Nb 0.08966 0.08966 0.36158 1.00000
V1 V 0.73470 0.73470 0.90801 1.00000
V2 V 0.26530 0.26530 0.09199 1.00000
V3 V 0.54334 0.54334 0.18071 1.00000
V4 V 0.45666 0.45666 0.81929 1.00000
V5 V 0.82122 0.82122 0.27053 1.00000
V6 V 0.17878 0.17878 0.72947 1.00000
V7 V 0.64706 0.64706 0.54813 1.00000
V8 V 0.35294 0.35294 0.45187 1.00000
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