Cd2Ag5Au4
Alexandria ALEXAlex-ID: agm005654030 · 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
A2B4C5_475_spg12
AgAu CdAgAu2 CdAg2Au
2023-06-21 10:35:41.564225
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654030).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005654030
data_agm005654030
_cell_length_a 5.07487
_cell_length_b 5.49683
_cell_length_c 8.22141
_cell_angle_alpha 109.52981
_cell_angle_beta 88.72637
_cell_angle_gamma 90.00013
_cell_volume 216.08754
_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 0.37224 0.18005 0.36009 1.00000
Cd2 Cd 0.62776 0.81995 0.63991 1.00000
Ag1 Ag 0.11111 0.15649 0.81440 1.00000
Ag2 Ag 0.88889 0.84350 0.18560 1.00000
Ag3 Ag 0.50000 0.00000 0.00000 1.00000
Ag4 Ag 0.11111 0.65791 0.81440 1.00000
Ag5 Ag 0.88889 0.34209 0.18560 1.00000
Au1 Au 0.62094 0.42156 0.84312 1.00000
Au2 Au 0.37906 0.57844 0.15688 1.00000
Au3 Au 0.13695 0.74036 0.48072 1.00000
Au4 Au 0.86305 0.25964 0.51928 1.00000
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