Nb(V3Mo)2
Alexandria ALEXAlex-ID: agm005709272 · 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
AB2C6_707_spg12
V5Mo V3Mo2 NbV2
2023-07-09 20:17:33.657064
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709272).
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 agm005709272
data_agm005709272
_cell_length_a 3.07902
_cell_length_b 5.06995
_cell_length_c 9.19043
_cell_angle_alpha 74.37972
_cell_angle_beta 80.35681
_cell_angle_gamma 72.32283
_cell_volume 131.06824
_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
V1 V 0.66680 0.54702 0.11938 1.00000
V2 V 0.33320 0.45298 0.88062 1.00000
V3 V 0.33736 0.76926 0.55602 1.00000
V4 V 0.99112 0.67683 0.34093 1.00000
V5 V 0.00888 0.32317 0.65907 1.00000
V6 V 0.66264 0.23074 0.44398 1.00000
Mo1 Mo 0.32396 0.12069 0.23139 1.00000
Mo2 Mo 0.67604 0.87931 0.76861 1.00000
获取直接链接