KTaH6
Alexandria ALEXAlex-ID: agm075990010 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_1177_spg12
KTaH6
2025-06-26 01:29:44
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm075990010).
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 agm075990010
data_agm075990010
_cell_length_a 7.21916
_cell_length_b 4.47970
_cell_length_c 5.40773
_cell_angle_alpha 34.20792
_cell_angle_beta 60.53793
_cell_angle_gamma 53.52071
_cell_volume 79.05597
_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 0.01204 0.88222 0.03231 1.00000
Ta1 Ta 0.48777 0.44918 0.53076 1.00000
H1 H 0.70624 0.65915 0.03036 1.00000
H2 H 0.36923 0.92153 0.53192 1.00000
H3 H 0.67987 0.57562 0.53174 1.00000
H4 H 0.17472 0.74457 0.53120 1.00000
H5 H 0.41989 0.23627 0.03151 1.00000
H6 H 0.40023 0.78147 0.03022 1.00000
获取直接链接