KTl11Sn
Alexandria ALEXAlex-ID: agm005697723 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC11_5_spg12
Tl KSn
2023-06-29 15:01:04.840179
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697723).
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 agm005697723
data_agm005697723
_cell_length_a 6.54607
_cell_length_b 8.67160
_cell_length_c 8.66201
_cell_angle_alpha 82.15105
_cell_angle_beta 67.79875
_cell_angle_gamma 68.81330
_cell_volume 424.47364
_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
K1 K 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.29185 0.21478 0.21045 1.00000
Tl2 Tl 0.70815 0.78522 0.78955 1.00000
Tl3 Tl 0.49770 0.78522 0.21045 1.00000
Tl4 Tl 0.50230 0.21478 0.78955 1.00000
Tl5 Tl 0.36193 0.64028 0.64629 1.00000
Tl6 Tl 0.63807 0.35972 0.35371 1.00000
Tl7 Tl 0.99177 0.35972 0.64629 1.00000
Tl8 Tl 0.00823 0.64028 0.35371 1.00000
Tl9 Tl 0.00000 0.50000 0.00000 1.00000
Tl10 Tl 0.50000 0.00000 0.50000 1.00000
Tl11 Tl 0.00000 0.00000 0.50000 1.00000
Sn1 Sn 0.50000 0.50000 0.00000 1.00000
获取直接链接