Tl4Cd(BiPb)2
Alexandria ALEXAlex-ID: agm004569337 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D4_218_spg2
TlCdBi Tl2Pb7 Tl2Bi Cd
2022-06-19 12:23:51.931199
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004569337).
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 agm004569337
data_agm004569337
_cell_length_a 6.85074
_cell_length_b 8.31201
_cell_length_c 9.72510
_cell_angle_alpha 133.10643
_cell_angle_beta 130.67984
_cell_angle_gamma 72.55362
_cell_volume 295.81740
_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 0.55016 0.71194 0.84364 1.00000
Tl2 Tl 0.89979 0.79435 0.54197 1.00000
Tl3 Tl 0.44984 0.28806 0.15636 1.00000
Tl4 Tl 0.10021 0.20565 0.45803 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.30954 0.78850 0.45422 1.00000
Bi2 Bi 0.69046 0.21150 0.54578 1.00000
Pb1 Pb 0.76536 0.37141 0.99236 1.00000
Pb2 Pb 0.23464 0.62859 0.00764 1.00000
获取直接链接