Tl3(CdBi)4
Alexandria ALEXAlex-ID: agm009798595 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_130_spg71
TlCdBi Bi Cd
2024-03-24 01:37:45.074187
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009798595).
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
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# CIF generated by HEAS from Alexandria entry agm009798595
data_agm009798595
_cell_length_a 9.87392
_cell_length_b 9.87392
_cell_length_c 9.87392
_cell_angle_alpha 150.20165
_cell_angle_beta 133.10551
_cell_angle_gamma 56.55585
_cell_volume 346.93668
_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
Tl1 Tl 0.11317 0.11317 0.00000 1.00000
Tl2 Tl 0.88683 0.88683 0.00000 1.00000
Tl3 Tl 0.50000 0.00000 0.50000 1.00000
Cd1 Cd 0.11210 0.32876 0.78334 1.00000
Cd2 Cd 0.45458 0.67124 0.78334 1.00000
Cd3 Cd 0.88790 0.67124 0.21666 1.00000
Cd4 Cd 0.54542 0.32876 0.21666 1.00000
Bi1 Bi 0.70852 0.20852 0.50000 1.00000
Bi2 Bi 0.29148 0.79148 0.50000 1.00000
Bi3 Bi 0.80162 0.50000 0.30162 1.00000
Bi4 Bi 0.19838 0.50000 0.69838 1.00000
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