YZn2CdH8
Alexandria ALEXAlex-ID: agm007181007 · 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_37_spg148
ZnH2 YH3 Zn CdH4
2024-01-28 18:34:24.965766
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007181007).
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 agm007181007
data_agm007181007
_cell_length_a 7.81040
_cell_length_b 7.81040
_cell_length_c 7.81040
_cell_angle_alpha 32.52012
_cell_angle_beta 32.52012
_cell_angle_gamma 32.52012
_cell_volume 122.44598
_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
Y1 Y 0.50000 0.50000 0.50000 1.00000
Zn1 Zn 0.75209 0.75209 0.75209 1.00000
Zn2 Zn 0.24791 0.24791 0.24791 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
H1 H 0.83218 0.83218 0.83218 1.00000
H2 H 0.39513 0.13165 0.70109 1.00000
H3 H 0.16782 0.16782 0.16782 1.00000
H4 H 0.13165 0.70109 0.39513 1.00000
H5 H 0.86835 0.29891 0.60487 1.00000
H6 H 0.70109 0.39513 0.13165 1.00000
H7 H 0.29891 0.60487 0.86835 1.00000
H8 H 0.60487 0.86835 0.29891 1.00000
获取直接链接