Tc2Pt6Rh5
Alexandria ALEXAlex-ID: agm005648907 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C6_66_spg55
TcPt3 TcPt5Rh6 TcPt2Rh
2023-06-21 00:55:08.848570
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005648907).
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 agm005648907
data_agm005648907
_cell_length_a 2.74461
_cell_length_b 9.07669
_cell_length_c 16.03080
_cell_angle_alpha 90.00002
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 399.35907
_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
Tc1 Tc 0.00000 0.33384 0.29145 1.00000
Tc2 Tc 0.00000 0.66616 0.70855 1.00000
Tc3 Tc 0.00000 0.83384 0.20855 1.00000
Tc4 Tc 0.00000 0.16616 0.79145 1.00000
Pt1 Pt 0.00000 0.07970 0.36876 1.00000
Pt2 Pt 0.00000 0.92030 0.63124 1.00000
Pt3 Pt 0.00000 0.57970 0.13124 1.00000
Pt4 Pt 0.00000 0.42030 0.86876 1.00000
Pt5 Pt 0.50000 0.31910 0.13334 1.00000
Pt6 Pt 0.50000 0.68090 0.86666 1.00000
Pt7 Pt 0.50000 0.81910 0.36666 1.00000
Pt8 Pt 0.50000 0.18090 0.63334 1.00000
Pt9 Pt 0.00000 0.56899 0.42257 1.00000
Pt10 Pt 0.00000 0.43101 0.57743 1.00000
Pt11 Pt 0.00000 0.06899 0.07743 1.00000
Pt12 Pt 0.00000 0.93101 0.92257 1.00000
Rh1 Rh 0.50000 0.30552 0.43650 1.00000
Rh2 Rh 0.50000 0.69448 0.56350 1.00000
Rh3 Rh 0.50000 0.80552 0.06350 1.00000
Rh4 Rh 0.50000 0.19448 0.93650 1.00000
Rh5 Rh 0.50000 0.58174 0.27435 1.00000
Rh6 Rh 0.50000 0.41826 0.72565 1.00000
Rh7 Rh 0.50000 0.08174 0.22565 1.00000
Rh8 Rh 0.50000 0.91826 0.77435 1.00000
Rh9 Rh 0.50000 0.50000 0.00000 1.00000
Rh10 Rh 0.50000 0.00000 0.50000 1.00000
