Tb3Y(ThBi3)2
Alexandria ALEXAlex-ID: agm030674500 · 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
AB2C3D6_1_spg12
Tb2YThBi4 Tb3ThBi4 Th2Bi Th3Bi4
2024-12-20 18:34:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030674500).
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 agm030674500
data_agm030674500
_cell_length_a 7.85349
_cell_length_b 7.85349
_cell_length_c 7.82834
_cell_angle_alpha 80.38172
_cell_angle_beta 99.61828
_cell_angle_gamma 59.92086
_cell_volume 393.73213
_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
Tb1 Tb 0.16898 0.16898 0.00000 1.00000
Tb2 Tb 0.83102 0.83102 0.00000 1.00000
Tb3 Tb 0.50000 0.50000 0.00000 1.00000
Y1 Y 0.00000 0.00000 0.50000 1.00000
Th1 Th 0.33422 0.33422 0.50000 1.00000
Th2 Th 0.66578 0.66578 0.50000 1.00000
Bi1 Bi 0.41330 0.91574 0.75392 1.00000
Bi2 Bi 0.24277 0.75723 0.24286 1.00000
Bi3 Bi 0.58670 0.08426 0.24608 1.00000
Bi4 Bi 0.08426 0.58670 0.75392 1.00000
Bi5 Bi 0.75723 0.24277 0.75714 1.00000
Bi6 Bi 0.91574 0.41330 0.24608 1.00000
获取直接链接