CoNi2H8Pb
Alexandria ALEXAlex-ID: agm007180334 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_757_spg148
CoH NiH Pb H6Pb
2024-05-29 08:07:41.210130
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007180334).
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 agm007180334
data_agm007180334
_cell_length_a 6.38292
_cell_length_b 6.38292
_cell_length_c 6.38292
_cell_angle_alpha 40.44089
_cell_angle_beta 40.44089
_cell_angle_gamma 40.44089
_cell_volume 98.67453
_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
Co1 Co 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.30037 0.30037 0.30037 1.00000
Ni2 Ni 0.69963 0.69963 0.69963 1.00000
H1 H 0.21122 0.21122 0.21122 1.00000
H2 H 0.91344 0.29592 0.65877 1.00000
H3 H 0.78878 0.78878 0.78878 1.00000
H4 H 0.29592 0.65877 0.91344 1.00000
H5 H 0.70408 0.34123 0.08656 1.00000
H6 H 0.65877 0.91344 0.29592 1.00000
H7 H 0.34123 0.08656 0.70408 1.00000
H8 H 0.08656 0.70408 0.34123 1.00000
Pb1 Pb 0.50000 0.50000 0.50000 1.00000
获取直接链接