Cd5Pd2Au5
Alexandria ALEXAlex-ID: agm005651176 · 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
A2B5C5_18_spg12
CdPdAu2 Cd2Au3 CdPd
2023-06-19 05:15:36.600435
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651176).
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 agm005651176
data_agm005651176
_cell_length_a 4.16876
_cell_length_b 8.81755
_cell_length_c 6.76506
_cell_angle_alpha 72.48701
_cell_angle_beta 72.05469
_cell_angle_gamma 76.32644
_cell_volume 222.76200
_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 0.92102 0.74242 0.41553 1.00000
Cd2 Cd 0.24992 0.73204 0.76813 1.00000
Cd3 Cd 0.75008 0.26796 0.23187 1.00000
Cd4 Cd 0.07898 0.25758 0.58447 1.00000
Cd5 Cd 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.83545 0.50264 0.82646 1.00000
Pd2 Pd 0.16455 0.49736 0.17354 1.00000
Au1 Au 0.50000 0.50000 0.50000 1.00000
Au2 Au 0.41398 0.25749 0.91455 1.00000
Au3 Au 0.33043 0.00409 0.33505 1.00000
Au4 Au 0.66957 0.99591 0.66495 1.00000
Au5 Au 0.58602 0.74251 0.08545 1.00000
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