K3Na3Tl8
Alexandria ALEXAlex-ID: agm003376740 · 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
A3B3C8_0_spg71
K8Tl11 NaTl2 NaTl
2022-02-09 00:12:59.374733
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003376740).
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 agm003376740
data_agm003376740
_cell_length_a 5.27346
_cell_length_b 10.14316
_cell_length_c 10.14316
_cell_angle_alpha 70.77061
_cell_angle_beta 74.93281
_cell_angle_gamma 74.93281
_cell_volume 485.54460
_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 0.50000 0.50000 0.50000 1.00000
K2 K 0.79966 0.20034 0.20034 1.00000
K3 K 0.20034 0.79966 0.79966 1.00000
Na1 Na 0.50000 0.00000 0.00000 1.00000
Na2 Na 0.00000 0.78107 0.21893 1.00000
Na3 Na 0.00000 0.21893 0.78107 1.00000
Tl1 Tl 0.63273 0.09162 0.64291 1.00000
Tl2 Tl 0.36727 0.90838 0.35709 1.00000
Tl3 Tl 0.63273 0.64291 0.09162 1.00000
Tl4 Tl 0.36727 0.35709 0.90838 1.00000
Tl5 Tl 0.82215 0.81658 0.53913 1.00000
Tl6 Tl 0.17785 0.18342 0.46087 1.00000
Tl7 Tl 0.82215 0.53913 0.81658 1.00000
Tl8 Tl 0.17785 0.46087 0.18342 1.00000
获取直接链接