Th3OsPb
Alexandria ALEXAlex-ID: agm003711348 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_5053_spg12
Th5Os3 Th5OsPb3 Th7Os3
2022-04-16 12:07:08.989593
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003711348).
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 agm003711348
data_agm003711348
_cell_length_a 5.63432
_cell_length_b 6.81373
_cell_length_c 9.39531
_cell_angle_alpha 67.47602
_cell_angle_beta 72.55156
_cell_angle_gamma 65.57802
_cell_volume 299.04583
_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
Th1 Th 0.86969 0.99356 0.26706 1.00000
Th2 Th 0.13031 0.00644 0.73294 1.00000
Th3 Th 0.63621 0.66794 0.05965 1.00000
Th4 Th 0.36379 0.33206 0.94035 1.00000
Th5 Th 0.86690 0.61268 0.65352 1.00000
Th6 Th 0.13310 0.38732 0.34648 1.00000
Os1 Os 0.10816 0.72882 0.05486 1.00000
Os2 Os 0.89184 0.27118 0.94514 1.00000
Pb1 Pb 0.39805 0.77337 0.43053 1.00000
Pb2 Pb 0.60195 0.22663 0.56947 1.00000
获取直接链接