K3Tl7Cu2
Alexandria ALEXAlex-ID: agm024577056 · 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
A2B3C7_69_spg12
K6Tl17 KTl2 Cu
2025-05-16 13:59:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024577056).
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 agm024577056
data_agm024577056
_cell_length_a 6.78484
_cell_length_b 6.78484
_cell_length_c 10.27421
_cell_angle_alpha 70.25854
_cell_angle_beta 109.74146
_cell_angle_gamma 119.61507
_cell_volume 378.48042
_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 0.50000 1.00000
K2 K 0.14517 0.85483 0.93436 1.00000
K3 K 0.85483 0.14517 0.06564 1.00000
Tl1 Tl 0.50000 0.50000 0.00000 1.00000
Tl2 Tl 0.06786 0.42514 0.71517 1.00000
Tl3 Tl 0.57486 0.93214 0.71517 1.00000
Tl4 Tl 0.57348 0.42652 0.71107 1.00000
Tl5 Tl 0.93214 0.57486 0.28483 1.00000
Tl6 Tl 0.42652 0.57348 0.28893 1.00000
Tl7 Tl 0.42514 0.06786 0.28483 1.00000
Cu1 Cu 0.33058 0.66942 0.50548 1.00000
Cu2 Cu 0.66942 0.33058 0.49452 1.00000
获取直接链接