ErTh4Bi5
Alexandria ALEXAlex-ID: agm014154079 · 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
AB4C5_122_spg8
Er3ThBi4 Th2Bi Th3Bi4
2025-02-02 00:59:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014154079).
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 agm014154079
data_agm014154079
_cell_length_a 7.92938
_cell_length_b 7.92938
_cell_length_c 11.21004
_cell_angle_alpha 61.74456
_cell_angle_beta 118.25544
_cell_angle_gamma 146.64496
_cell_volume 336.90418
_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
Er1 Er 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.39640 0.60360 0.59593 1.00000
Th2 Th 0.80229 0.19771 0.19785 1.00000
Th3 Th 0.19771 0.80229 0.80215 1.00000
Th4 Th 0.60360 0.39640 0.40407 1.00000
Bi1 Bi 0.80409 0.19591 0.70965 1.00000
Bi2 Bi 0.19591 0.80409 0.29035 1.00000
Bi3 Bi 0.59442 0.40558 0.90287 1.00000
Bi4 Bi 0.00000 0.00000 0.50000 1.00000
Bi5 Bi 0.40558 0.59442 0.09713 1.00000
获取直接链接