CdPbAu4
Alexandria ALEXAlex-ID: agm005776663 · 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
ABC4_1110_spg12
CdAu3 PbAu
2023-07-27 19:21:24.200900
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005776663).
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 agm005776663
data_agm005776663
_cell_length_a 3.86409
_cell_length_b 5.14616
_cell_length_c 7.39758
_cell_angle_alpha 100.96509
_cell_angle_beta 104.70162
_cell_angle_gamma 112.42146
_cell_volume 124.56992
_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 0.49785 0.99729 0.50186 1.00000
Pb1 Pb 0.99784 0.49728 0.00186 1.00000
Au1 Au 0.13827 0.97691 0.81234 1.00000
Au2 Au 0.85743 0.01766 0.19138 1.00000
Au3 Au 0.67970 0.50916 0.35153 1.00000
Au4 Au 0.31600 0.48542 0.65220 1.00000
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