Nb(VW)2
Alexandria ALEXAlex-ID: agm003402437 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_2024_spg36
Nb2V3W V2W5 NbW
2022-02-12 02:11:38.899345
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003402437).
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 agm003402437
data_agm003402437
_cell_length_a 3.13687
_cell_length_b 5.32964
_cell_length_c 10.21435
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 107.11469
_cell_volume 163.20579
_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 0.63642 0.27284 0.00655 1.00000
Nb2 Nb 0.36358 0.72716 0.50655 1.00000
V1 V 0.26617 0.53234 0.20451 1.00000
V2 V 0.02330 0.04660 0.80716 1.00000
V3 V 0.73383 0.46766 0.70451 1.00000
V4 V 0.97670 0.95340 0.30716 1.00000
W1 W 0.92851 0.85703 0.07680 1.00000
W2 W 0.32722 0.65445 0.89029 1.00000
W3 W 0.07149 0.14297 0.57680 1.00000
W4 W 0.67278 0.34555 0.39029 1.00000
获取直接链接