CeZnH6
Alexandria ALEXAlex-ID: agm076207004 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_4_spg166
ZnH2 CeH3 H2
2025-06-26 06:54:08
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076207004).
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 agm076207004
data_agm076207004
_cell_length_a 4.17098
_cell_length_b 4.72460
_cell_length_c 4.62211
_cell_angle_alpha 108.61067
_cell_angle_beta 94.56932
_cell_angle_gamma 120.23109
_cell_volume 71.29649
_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
Ce1 Ce 0.39589 0.16690 0.58935 1.00000
Zn1 Zn 0.83024 0.96410 0.98449 1.00000
H1 H 0.37903 0.69226 0.71134 1.00000
H2 H 0.35535 0.16474 0.08253 1.00000
H3 H 0.79408 0.62359 0.07440 1.00000
H4 H 0.97712 0.28227 0.82799 1.00000
H5 H 0.89210 0.68960 0.60397 1.00000
H6 H 0.87619 0.16654 0.37592 1.00000
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