Re2Tc6Os
Alexandria ALEXAlex-ID: agm005656631 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_654_spg15
Re2Tc5Os Tc
2023-07-09 20:02:35.462565
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656631).
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 agm005656631
data_agm005656631
_cell_length_a 6.85675
_cell_length_b 6.98106
_cell_length_c 6.85675
_cell_angle_alpha 64.91782
_cell_angle_beta 84.77620
_cell_angle_gamma 64.91784
_cell_volume 267.65520
_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 0.41151 0.92855 0.20973 1.00000
Re2 Re 0.79027 0.57145 0.58849 1.00000
Re3 Re 0.58849 0.07145 0.79027 1.00000
Re4 Re 0.20973 0.42855 0.41151 1.00000
Tc1 Tc 0.40794 0.54591 0.66070 1.00000
Tc2 Tc 0.33930 0.95409 0.59206 1.00000
Tc3 Tc 0.59206 0.45409 0.33930 1.00000
Tc4 Tc 0.66070 0.04591 0.40794 1.00000
Tc5 Tc 0.94029 0.14398 0.61334 1.00000
Tc6 Tc 0.38666 0.35602 0.05971 1.00000
Tc7 Tc 0.05971 0.85602 0.38666 1.00000
Tc8 Tc 0.61334 0.64398 0.94029 1.00000
Tc9 Tc 0.18435 0.81315 0.01966 1.00000
Tc10 Tc 0.98034 0.68685 0.81565 1.00000
Tc11 Tc 0.81565 0.18685 0.98034 1.00000
Tc12 Tc 0.01966 0.31315 0.18435 1.00000
Os1 Os 0.82843 0.75000 0.17157 1.00000
Os2 Os 0.17157 0.25000 0.82843 1.00000
获取直接链接