Ce3Ga5Au6
Alexandria ALEXAlex-ID: agm005709166 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5C6_16_spg59
CeGaAu2 Ce(GaAu)2
2023-07-02 12:12:42.210058
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709166).
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 agm005709166
data_agm005709166
_cell_length_a 4.51628
_cell_length_b 9.35810
_cell_length_c 13.56702
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 573.39420
_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 0.00000 0.25223 0.69712 1.00000
Ce2 Ce 0.50000 0.74777 0.19712 1.00000
Ce3 Ce 0.50000 0.74777 0.80288 1.00000
Ce4 Ce 0.00000 0.24735 0.00000 1.00000
Ce5 Ce 0.50000 0.75265 0.50000 1.00000
Ce6 Ce 0.00000 0.25223 0.30288 1.00000
Ga1 Ga 0.00000 0.52702 0.85736 1.00000
Ga2 Ga 0.00000 0.89167 0.66755 1.00000
Ga3 Ga 0.00000 0.75279 0.00000 1.00000
Ga4 Ga 0.50000 0.47298 0.64264 1.00000
Ga5 Ga 0.50000 0.24721 0.50000 1.00000
Ga6 Ga 0.00000 0.52702 0.14264 1.00000
Ga7 Ga 0.50000 0.47298 0.35736 1.00000
Ga8 Ga 0.00000 0.89167 0.33245 1.00000
Ga9 Ga 0.50000 0.10833 0.83245 1.00000
Ga10 Ga 0.50000 0.10833 0.16755 1.00000
Au1 Au 0.00000 0.97009 0.86014 1.00000
Au2 Au 0.50000 0.02991 0.63986 1.00000
Au3 Au 0.50000 0.38093 0.83997 1.00000
Au4 Au 0.50000 0.57996 0.00000 1.00000
Au5 Au 0.00000 0.42004 0.50000 1.00000
Au6 Au 0.00000 0.61907 0.66003 1.00000
Au7 Au 0.00000 0.61907 0.33997 1.00000
Au8 Au 0.50000 0.95441 0.00000 1.00000
Au9 Au 0.00000 0.97009 0.13986 1.00000
Au10 Au 0.50000 0.38093 0.16003 1.00000
Au11 Au 0.00000 0.04559 0.50000 1.00000
Au12 Au 0.50000 0.02991 0.36014 1.00000
