Re(MoW2)6
Alexandria ALEXAlex-ID: agm006124151 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C12_0_spg204
Re24Mo5 MoW6 Mo4W
2023-08-26 00:43:07.878253
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006124151).
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 agm006124151
data_agm006124151
_cell_length_a 7.21175
_cell_length_b 7.21175
_cell_length_c 7.21175
_cell_angle_alpha 106.10389
_cell_angle_beta 106.10388
_cell_angle_gamma 106.10391
_cell_volume 319.69726
_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 0.00000 0.00000 0.00000 1.00000
Mo1 Mo 0.12457 0.19764 0.41559 1.00000
Mo2 Mo 0.80236 0.58441 0.87543 1.00000
Mo3 Mo 0.58441 0.87543 0.80236 1.00000
Mo4 Mo 0.87543 0.80236 0.58441 1.00000
Mo5 Mo 0.19764 0.41559 0.12457 1.00000
Mo6 Mo 0.41559 0.12457 0.19764 1.00000
W1 W 0.51934 0.18825 0.60137 1.00000
W2 W 0.18825 0.60137 0.51934 1.00000
W3 W 0.60137 0.51934 0.18825 1.00000
W4 W 0.48066 0.81175 0.39863 1.00000
W5 W 0.81175 0.39863 0.48066 1.00000
W6 W 0.39863 0.48066 0.81175 1.00000
W7 W 0.28449 0.07104 0.79990 1.00000
W8 W 0.20010 0.71551 0.92896 1.00000
W9 W 0.92896 0.20010 0.71551 1.00000
W10 W 0.71551 0.92896 0.20010 1.00000
W11 W 0.79990 0.28449 0.07104 1.00000
W12 W 0.07104 0.79990 0.28449 1.00000
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