Ga2Cu2H5
Alexandria ALEXAlex-ID: agm007180872 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_1522_spg2
CuH4 Ga2Cu GaH6
2024-01-03 19:18:11.935994
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007180872).
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 agm007180872
data_agm007180872
_cell_length_a 2.60071
_cell_length_b 11.40289
_cell_length_c 4.66584
_cell_angle_alpha 128.69346
_cell_angle_beta 75.04170
_cell_angle_gamma 101.94683
_cell_volume 104.14583
_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 0.16538 0.57376 0.84448 1.00000
H2 H 0.83462 0.42624 0.15552 1.00000
H3 H 0.45861 0.26652 0.56143 1.00000
H4 H 0.54139 0.73348 0.43857 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.41758 0.86803 0.91220 1.00000
Cu2 Cu 0.58242 0.13197 0.08780 1.00000
Ga1 Ga 0.29282 0.28729 0.95519 1.00000
Ga2 Ga 0.70718 0.71271 0.04481 1.00000
获取直接链接