RuPt6Rh23
Alexandria ALEXAlex-ID: agm006089495 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C23_1_spg139
RuPt2Rh3 PtRh6 PtRh2
2023-08-07 10:19:21.786415
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006089495).
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 agm006089495
data_agm006089495
_cell_length_a 9.37779
_cell_length_b 7.68474
_cell_length_c 9.37778
_cell_angle_alpha 65.81211
_cell_angle_beta 48.37587
_cell_angle_gamma 65.81202
_cell_volume 451.35831
_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 0.50000 0.50000 0.50000 1.00000
Pt1 Pt 0.74866 0.74866 0.25134 1.00000
Pt2 Pt 0.25134 0.25134 0.74866 1.00000
Pt3 Pt 0.74868 0.25132 0.25132 1.00000
Pt4 Pt 0.25132 0.74868 0.74868 1.00000
Pt5 Pt 0.75037 0.24963 0.75037 1.00000
Pt6 Pt 0.24963 0.75037 0.24963 1.00000
Rh1 Rh 0.61813 0.12734 0.12717 1.00000
Rh2 Rh 0.38187 0.87266 0.87283 1.00000
Rh3 Rh 0.12717 0.12737 0.61813 1.00000
Rh4 Rh 0.12737 0.12717 0.12734 1.00000
Rh5 Rh 0.87283 0.87263 0.38187 1.00000
Rh6 Rh 0.87263 0.87283 0.87266 1.00000
Rh7 Rh 0.12734 0.61813 0.12737 1.00000
Rh8 Rh 0.87266 0.38187 0.87263 1.00000
Rh9 Rh 0.50000 0.50000 0.00000 1.00000
Rh10 Rh 0.00000 0.00000 0.50000 1.00000
Rh11 Rh 0.50000 0.00000 0.00000 1.00000
Rh12 Rh 0.00000 0.50000 0.50000 1.00000
Rh13 Rh 0.50000 0.00000 0.50000 1.00000
Rh14 Rh 0.00000 0.50000 0.00000 1.00000
Rh15 Rh 0.88044 0.37291 0.37372 1.00000
Rh16 Rh 0.11956 0.62709 0.62628 1.00000
Rh17 Rh 0.37372 0.37293 0.88044 1.00000
Rh18 Rh 0.37293 0.37372 0.37291 1.00000
Rh19 Rh 0.62628 0.62707 0.11956 1.00000
Rh20 Rh 0.62707 0.62628 0.62709 1.00000
Rh21 Rh 0.37291 0.88044 0.37293 1.00000
Rh22 Rh 0.62709 0.11956 0.62707 1.00000
Rh23 Rh 0.00000 0.00000 0.00000 1.00000
