Th5Ga15Cu4Rh
Alexandria ALEXAlex-ID: agm021307271 · 空间群: I4mm (#107)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5D15_10_spg107
ThGa3Cu Th4Ga16Rh3 Th2Ga5Cu3 ThGa2
2024-12-10 18:37:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021307271).
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 agm021307271
data_agm021307271
_cell_length_a 4.29560
_cell_length_b 4.29560
_cell_length_c 25.95232
_cell_angle_alpha 85.30121
_cell_angle_beta 94.69879
_cell_angle_gamma 89.98677
_cell_volume 475.65263
_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
Th1 Th 0.00087 0.99913 0.00302 1.00000
Th2 Th 0.39973 0.60027 0.80046 1.00000
Th3 Th 0.80060 0.19940 0.60109 1.00000
Th4 Th 0.20190 0.79810 0.40288 1.00000
Th5 Th 0.60115 0.39885 0.20175 1.00000
Ga1 Ga 0.94995 0.55039 0.90069 1.00000
Ga2 Ga 0.35084 0.14961 0.70154 1.00000
Ga3 Ga 0.75309 0.74846 0.50302 1.00000
Ga4 Ga 0.15335 0.34806 0.30359 1.00000
Ga5 Ga 0.54911 0.95092 0.09971 1.00000
Ga6 Ga 0.44961 0.05005 0.90069 1.00000
Ga7 Ga 0.85039 0.64916 0.70154 1.00000
Ga8 Ga 0.25154 0.24691 0.50302 1.00000
Ga9 Ga 0.65194 0.84665 0.30359 1.00000
Ga10 Ga 0.04908 0.45089 0.09971 1.00000
Ga11 Ga 0.91979 0.08021 0.83959 1.00000
Ga12 Ga 0.32100 0.67900 0.64142 1.00000
Ga13 Ga 0.72239 0.27761 0.44277 1.00000
Ga14 Ga 0.12231 0.87769 0.24213 1.00000
Ga15 Ga 0.51878 0.48122 0.03791 1.00000
Cu1 Cu 0.47214 0.52786 0.94607 1.00000
Cu2 Cu 0.87333 0.12667 0.74766 1.00000
Cu3 Cu 0.27595 0.72405 0.54952 1.00000
Cu4 Cu 0.67638 0.32362 0.35071 1.00000
Rh1 Rh 0.07275 0.92725 0.14803 1.00000
