Nb2V6W
Alexandria ALEXAlex-ID: agm005688083 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_3443_spg15
NbV2 NbV4W
2023-07-10 12:40:15.599887
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688083).
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
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# CIF generated by HEAS from Alexandria entry agm005688083
data_agm005688083
_cell_length_a 4.58583
_cell_length_b 11.88952
_cell_length_c 11.88951
_cell_angle_alpha 150.77975
_cell_angle_beta 82.90047
_cell_angle_gamma 82.90043
_cell_volume 275.86633
_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 0.40227 0.53538 0.83452 1.00000
Nb2 Nb 0.09773 0.16548 0.46462 1.00000
Nb3 Nb 0.59773 0.46462 0.16548 1.00000
Nb4 Nb 0.90227 0.83452 0.53538 1.00000
V1 V 0.38535 0.67217 0.56905 1.00000
V2 V 0.11465 0.43095 0.32783 1.00000
V3 V 0.61465 0.32783 0.43095 1.00000
V4 V 0.88535 0.56905 0.67217 1.00000
V5 V 0.59609 0.14597 0.63432 1.00000
V6 V 0.90391 0.36568 0.85403 1.00000
V7 V 0.40391 0.85403 0.36568 1.00000
V8 V 0.09609 0.63432 0.14597 1.00000
V9 V 0.11350 0.83504 0.92862 1.00000
V10 V 0.38650 0.07138 0.16496 1.00000
V11 V 0.88650 0.16496 0.07138 1.00000
V12 V 0.61350 0.92862 0.83504 1.00000
W1 W 0.25000 0.14949 0.85051 1.00000
W2 W 0.75000 0.85051 0.14949 1.00000
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