TbInBi2
Alexandria ALEXAlex-ID: agm005803877 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_42_spg194
Bi In TbBi
2023-07-12 04:16:05.652763
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803877).
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 agm005803877
data_agm005803877
_cell_length_a 5.77888
_cell_length_b 5.11123
_cell_length_c 10.29726
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 124.42394
_cell_volume 250.88814
_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 0.87290 0.74580 0.25000 1.00000
Tb2 Tb 0.12710 0.25420 0.75000 1.00000
In1 In 0.50866 0.01732 0.25000 1.00000
In2 In 0.49134 0.98268 0.75000 1.00000
Bi1 Bi 0.79934 0.59869 0.57008 1.00000
Bi2 Bi 0.20066 0.40131 0.07008 1.00000
Bi3 Bi 0.20066 0.40131 0.42992 1.00000
Bi4 Bi 0.79934 0.59869 0.92992 1.00000
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