Mo3W5
Alexandria ALEXAlex-ID: agm005519682 · 空间群: Fmm2 (#42)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5_424_spg8
MoW6 Mo4W
2023-07-23 18:29:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005519682).
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 agm005519682
data_agm005519682
_cell_length_a 5.05615
_cell_length_b 7.98686
_cell_length_c 7.35000
_cell_angle_alpha 96.30497
_cell_angle_beta 110.11768
_cell_angle_gamma 71.37585
_cell_volume 264.10952
_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
Mo1 Mo 0.22251 0.00109 0.94535 1.00000
Mo2 Mo 0.72286 0.00091 0.94539 1.00000
Mo3 Mo 0.69942 0.49873 0.89659 1.00000
Mo4 Mo 0.32709 0.49923 0.15297 1.00000
Mo5 Mo 0.82881 0.87744 0.53414 1.00000
Mo6 Mo 0.20652 0.12085 0.53373 1.00000
W1 W 0.75131 0.50046 0.49796 1.00000
W2 W 0.24678 0.50051 0.49789 1.00000
W3 W 0.22095 0.84484 0.28780 1.00000
W4 W 0.73671 0.21694 0.69020 1.00000
W5 W 0.26252 0.31632 0.83990 1.00000
W6 W 0.72938 0.72041 0.17928 1.00000
W7 W 0.45511 0.78268 0.69276 1.00000
W8 W 0.56730 0.15455 0.28814 1.00000
W9 W 0.95106 0.27998 0.18213 1.00000
W10 W 0.07833 0.68506 0.84228 1.00000
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