Tc2Os3
Alexandria ALEXAlex-ID: agm005508170 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_55_spg43
TcOs3 TcOs
2023-03-20 13:15:09.550078
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508170).
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 agm005508170
data_agm005508170
_cell_length_a 8.04775
_cell_length_b 6.96342
_cell_length_c 5.26248
_cell_angle_alpha 81.03841
_cell_angle_beta 58.72656
_cell_angle_gamma 40.23503
_cell_volume 146.54610
_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 0.89752 0.19589 0.53489 1.00000
Tc2 Tc 0.37170 0.53489 0.19589 1.00000
Tc3 Tc 0.05411 0.35248 0.87830 1.00000
Tc4 Tc 0.71511 0.87830 0.35248 1.00000
Os1 Os 0.45458 0.74223 0.45043 1.00000
Os2 Os 0.35276 0.45043 0.74223 1.00000
Os3 Os 0.50777 0.79542 0.89724 1.00000
Os4 Os 0.79957 0.89724 0.79542 1.00000
Os5 Os 0.92344 0.07656 0.07656 1.00000
Os6 Os 0.17344 0.32656 0.32656 1.00000
获取直接链接