K2Te2H5
Alexandria ALEXAlex-ID: agm007016598 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_214_spg12
KTeH KTeH3
2024-01-27 17:57:42.533888
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007016598).
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 agm007016598
data_agm007016598
_cell_length_a 5.28406
_cell_length_b 5.24532
_cell_length_c 6.24057
_cell_angle_alpha 89.38281
_cell_angle_beta 97.81886
_cell_angle_gamma 88.05450
_cell_volume 171.24002
_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 0.52252 0.26673 0.74324 1.00000
K2 K 0.47748 0.73327 0.25676 1.00000
Te1 Te 0.98094 0.24102 0.24042 1.00000
Te2 Te 0.01906 0.75898 0.75958 1.00000
H1 H 0.94918 0.92916 0.33923 1.00000
H2 H 0.05082 0.07084 0.66077 1.00000
H3 H 0.51219 0.77194 0.75807 1.00000
H4 H 0.48781 0.22806 0.24193 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
获取直接链接