Cs(ZnGa3)2
Alexandria ALEXAlex-ID: agm005754169 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_97_spg71
CsGa7 Zn CsGa3
2023-07-10 16:19:25.970249
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754169).
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 agm005754169
data_agm005754169
_cell_length_a 7.88434
_cell_length_b 6.96272
_cell_length_c 4.86813
_cell_angle_alpha 104.82887
_cell_angle_beta 90.00000
_cell_angle_gamma 124.48443
_cell_volume 209.39556
_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
Cs1 Cs 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.61200 0.22400 0.98096 1.00000
Zn2 Zn 0.38800 0.77600 0.01904 1.00000
Ga1 Ga 0.41070 0.43531 0.71431 1.00000
Ga2 Ga 0.58930 0.56469 0.28569 1.00000
Ga3 Ga 0.97540 0.56469 0.28569 1.00000
Ga4 Ga 0.33034 0.00000 0.50000 1.00000
Ga5 Ga 0.66966 0.00000 0.50000 1.00000
Ga6 Ga 0.02460 0.43531 0.71431 1.00000
获取直接链接