TbPu2Bi3
Alexandria ALEXAlex-ID: agm016728067 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1824_spg62
PuBi TbBi
2025-04-14 11:55:38
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016728067).
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 agm016728067
data_agm016728067
_cell_length_a 6.40643
_cell_length_b 13.55453
_cell_length_c 9.06972
_cell_angle_alpha 90.00000
_cell_angle_beta 89.99176
_cell_angle_gamma 90.00000
_cell_volume 787.58002
_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 0.24959 0.08403 0.37648 1.00000
Tb2 Tb 0.24959 0.41597 0.87648 1.00000
Tb3 Tb 0.75041 0.58403 0.12352 1.00000
Tb4 Tb 0.75041 0.91597 0.62352 1.00000
Pu1 Pu 0.25043 0.74907 0.37513 1.00000
Pu2 Pu 0.25043 0.75093 0.87513 1.00000
Pu3 Pu 0.25009 0.41719 0.37440 1.00000
Pu4 Pu 0.25009 0.08281 0.87440 1.00000
Pu5 Pu 0.74991 0.91719 0.12560 1.00000
Pu6 Pu 0.74991 0.58281 0.62560 1.00000
Pu7 Pu 0.74957 0.24907 0.12487 1.00000
Pu8 Pu 0.74957 0.25093 0.62487 1.00000
Bi1 Bi 0.25038 0.58321 0.12358 1.00000
Bi2 Bi 0.25038 0.91679 0.62358 1.00000
Bi3 Bi 0.24991 0.91731 0.12680 1.00000
Bi4 Bi 0.24991 0.58269 0.62680 1.00000
Bi5 Bi 0.24957 0.24992 0.12532 1.00000
Bi6 Bi 0.24957 0.25008 0.62532 1.00000
Bi7 Bi 0.75043 0.74992 0.37468 1.00000
Bi8 Bi 0.75043 0.75008 0.87468 1.00000
Bi9 Bi 0.75009 0.41731 0.37320 1.00000
Bi10 Bi 0.75009 0.08269 0.87320 1.00000
Bi11 Bi 0.74962 0.08321 0.37642 1.00000
Bi12 Bi 0.74962 0.41679 0.87642 1.00000
