CoNi2H7
Alexandria ALEXAlex-ID: agm006200750 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_513_spg1
Ni3H4 NiH4 CoH
2023-11-03 00:07:39
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200750).
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 agm006200750
data_agm006200750
_cell_length_a 3.93089
_cell_length_b 4.74923
_cell_length_c 5.71438
_cell_angle_alpha 126.92328
_cell_angle_beta 43.40298
_cell_angle_gamma 115.75823
_cell_volume 58.60062
_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 0.98429 0.60623 0.36446 1.00000
H2 H 0.98271 0.14255 0.64943 1.00000
H3 H 0.48395 0.59452 0.86102 1.00000
H4 H 0.98228 0.14243 0.12247 1.00000
H5 H 0.48288 0.67848 0.40332 1.00000
H6 H 0.43154 0.14939 0.16413 1.00000
H7 H 0.98448 0.60616 0.86813 1.00000
Co1 Co 0.93874 0.38891 0.03075 1.00000
Ni1 Ni 0.48073 0.87424 0.76898 1.00000
Ni2 Ni 0.48079 0.87449 0.23548 1.00000
获取直接链接