K2Tl2H7
Alexandria ALEXAlex-ID: agm006325488 · 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
A2B2C7_135_spg12
KH7 Tl KH
2024-08-14 06:32:14.722070
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006325488).
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 agm006325488
data_agm006325488
_cell_length_a 6.17983
_cell_length_b 6.17983
_cell_length_c 4.82493
_cell_angle_alpha 82.61576
_cell_angle_beta 82.61576
_cell_angle_gamma 96.11917
_cell_volume 179.79603
_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 0.69514 0.69514 0.63857 1.00000
K2 K 0.30486 0.30486 0.36143 1.00000
Tl1 Tl 0.82421 0.17579 0.00000 1.00000
Tl2 Tl 0.17579 0.82421 0.00000 1.00000
H1 H 0.20865 0.58511 0.78248 1.00000
H2 H 0.41489 0.79135 0.21752 1.00000
H3 H 0.79135 0.41489 0.21752 1.00000
H4 H 0.58511 0.20865 0.78248 1.00000
H5 H 0.00000 0.00000 0.50000 1.00000
H6 H 0.84662 0.84662 0.08108 1.00000
H7 H 0.15338 0.15338 0.91892 1.00000
获取直接链接