Cd3Ag5Au2
Alexandria ALEXAlex-ID: agm003344005 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C5_101_spg72
Cd3Au2 CdAg3 CdAg2Au
2022-01-30 08:13:09.477098
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003344005).
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 agm003344005
data_agm003344005
_cell_length_a 5.48736
_cell_length_b 9.28875
_cell_length_c 9.28875
_cell_angle_alpha 97.43844
_cell_angle_beta 72.81990
_cell_angle_gamma 72.81985
_cell_volume 419.79046
_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 0.25000 0.00000 0.00000 1.00000
Cd2 Cd 0.75000 0.00000 0.00000 1.00000
Cd3 Cd 0.37459 0.36849 0.88234 1.00000
Cd4 Cd 0.62541 0.63151 0.11766 1.00000
Cd5 Cd 0.87459 0.88234 0.36849 1.00000
Cd6 Cd 0.12541 0.11766 0.63151 1.00000
Ag1 Ag 0.25000 0.50000 0.50000 1.00000
Ag2 Ag 0.75000 0.50000 0.50000 1.00000
Ag3 Ag 0.50250 0.74750 0.74750 1.00000
Ag4 Ag 0.99750 0.25250 0.25250 1.00000
Ag5 Ag 0.49750 0.25250 0.25250 1.00000
Ag6 Ag 0.00250 0.74750 0.74750 1.00000
Ag7 Ag 0.11992 0.53276 0.22740 1.00000
Ag8 Ag 0.88008 0.46724 0.77260 1.00000
Ag9 Ag 0.61992 0.22740 0.53276 1.00000
Ag10 Ag 0.38008 0.77260 0.46724 1.00000
Au1 Au 0.13172 0.71480 0.02176 1.00000
Au2 Au 0.86828 0.28520 0.97824 1.00000
Au3 Au 0.63172 0.02176 0.71480 1.00000
Au4 Au 0.36828 0.97824 0.28520 1.00000
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