Tl6In5Bi2
Alexandria ALEXAlex-ID: agm005658103 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C6_66_spg55
Tl5Bi In Tl2Bi
2023-06-19 21:28:14.073892
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658103).
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 agm005658103
data_agm005658103
_cell_length_a 3.44648
_cell_length_b 11.66818
_cell_length_c 19.82593
_cell_angle_alpha 90.00001
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 797.28199
_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 0.00000 0.08466 0.36649 1.00000
Tl2 Tl 0.00000 0.91534 0.63351 1.00000
Tl3 Tl 0.00000 0.58466 0.13351 1.00000
Tl4 Tl 0.00000 0.41534 0.86649 1.00000
Tl5 Tl 0.50000 0.31853 0.13055 1.00000
Tl6 Tl 0.50000 0.68147 0.86945 1.00000
Tl7 Tl 0.50000 0.81853 0.36945 1.00000
Tl8 Tl 0.50000 0.18147 0.63055 1.00000
Tl9 Tl 0.00000 0.56490 0.42321 1.00000
Tl10 Tl 0.00000 0.43510 0.57679 1.00000
Tl11 Tl 0.00000 0.06490 0.07679 1.00000
Tl12 Tl 0.00000 0.93510 0.92321 1.00000
In1 In 0.50000 0.30257 0.44326 1.00000
In2 In 0.50000 0.69743 0.55674 1.00000
In3 In 0.50000 0.80257 0.05674 1.00000
In4 In 0.50000 0.19743 0.94326 1.00000
In5 In 0.50000 0.58656 0.27556 1.00000
In6 In 0.50000 0.41344 0.72444 1.00000
In7 In 0.50000 0.08656 0.22444 1.00000
In8 In 0.50000 0.91344 0.77556 1.00000
In9 In 0.50000 0.50000 0.00000 1.00000
In10 In 0.50000 0.00000 0.50000 1.00000
Bi1 Bi 0.00000 0.34180 0.28771 1.00000
Bi2 Bi 0.00000 0.65820 0.71229 1.00000
Bi3 Bi 0.00000 0.84180 0.21229 1.00000
Bi4 Bi 0.00000 0.15820 0.78771 1.00000
