Ru4Pt2W3
Alexandria ALEXAlex-ID: agm005651533 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_429_spg71
RuPtW RuPtW2 Ru3W
2023-06-28 03:12:49.065935
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651533).
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 agm005651533
data_agm005651533
_cell_length_a 2.74114
_cell_length_b 8.22747
_cell_length_c 7.48545
_cell_angle_alpha 123.33708
_cell_angle_beta 79.47331
_cell_angle_gamma 89.99999
_cell_volume 137.62503
_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
Ru1 Ru 0.31578 0.84628 0.36841 1.00000
Ru2 Ru 0.68422 0.47788 0.63159 1.00000
Ru3 Ru 0.68422 0.15372 0.63159 1.00000
Ru4 Ru 0.31578 0.52212 0.36841 1.00000
Pt1 Pt 0.00000 0.81256 0.00000 1.00000
Pt2 Pt 1.00000 0.18744 1.00000 1.00000
W1 W 0.33895 0.16145 0.32290 1.00000
W2 W 0.50000 0.50000 0.00000 1.00000
W3 W 0.66105 0.83855 0.67710 1.00000
获取直接链接