CdGa(PbAu3)2
Alexandria ALEXAlex-ID: agm004938524 · 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
ABC2D6_459_spg12
GaAu CdAu3 PbAu
2023-01-11 11:42:44.845580
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004938524).
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
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# CIF generated by HEAS from Alexandria entry agm004938524
data_agm004938524
_cell_length_a 8.66328
_cell_length_b 6.92911
_cell_length_c 4.34528
_cell_angle_alpha 71.76996
_cell_angle_beta 75.39175
_cell_angle_gamma 104.50042
_cell_volume 223.82651
_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
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.50000 0.50000 0.00000 1.00000
Pb1 Pb 0.18755 0.64733 0.58293 1.00000
Pb2 Pb 0.81245 0.35267 0.41707 1.00000
Au1 Au 0.43147 0.85301 0.85751 1.00000
Au2 Au 0.85030 0.71253 0.71854 1.00000
Au3 Au 0.36550 0.25049 0.69200 1.00000
Au4 Au 0.56853 0.14699 0.14249 1.00000
Au5 Au 0.14970 0.28747 0.28146 1.00000
Au6 Au 0.63450 0.74951 0.30800 1.00000
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