Re2MoW6
Alexandria ALEXAlex-ID: agm005661908 · 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_891_spg12
MoW6 Re
2023-07-08 18:53:50.457431
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661908).
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 agm005661908
data_agm005661908
_cell_length_a 4.49424
_cell_length_b 5.41624
_cell_length_c 9.18325
_cell_angle_alpha 133.57152
_cell_angle_beta 104.13154
_cell_angle_gamma 90.03819
_cell_volume 152.44678
_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
Re1 Re 0.89785 0.31401 0.79524 1.00000
Re2 Re 0.10215 0.68599 0.20476 1.00000
Mo1 Mo 0.00000 0.00000 0.00000 1.00000
W1 W 0.70578 0.07233 0.41165 1.00000
W2 W 0.29422 0.92767 0.58835 1.00000
W3 W 0.30470 0.46852 0.61033 1.00000
W4 W 0.49827 0.25163 0.99650 1.00000
W5 W 0.50172 0.74837 0.00350 1.00000
W6 W 0.69530 0.53148 0.38967 1.00000
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