K2NiH7
Alexandria ALEXAlex-ID: agm006200799 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_484_spg166
K(NiH2)4 KH9 K2NiH6
2023-11-20 07:21:21
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200799).
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
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# CIF generated by HEAS from Alexandria entry agm006200799
data_agm006200799
_cell_length_a 5.46988
_cell_length_b 5.46954
_cell_length_c 9.23191
_cell_angle_alpha 107.15558
_cell_angle_beta 72.77284
_cell_angle_gamma 119.99688
_cell_volume 224.83935
_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
H1 H 0.06893 0.64885 0.09874 1.00000
H2 H 0.87752 0.06238 0.89476 1.00000
H3 H 0.26702 0.45190 0.89474 1.00000
H4 H 0.06900 0.25968 0.09870 1.00000
H5 H 0.47272 0.85553 0.49705 1.00000
H6 H 0.67982 0.25976 0.09878 1.00000
H7 H 0.87755 0.45191 0.89488 1.00000
K1 K 0.35088 0.97878 0.86447 1.00000
K2 K 0.59560 0.73296 0.12938 1.00000
Ni1 Ni 0.97336 0.35565 0.99666 1.00000
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