Ac2(Pd3Au2)3
Alexandria ALEXAlex-ID: agm005657250 · 空间群: P6/mmm (#191)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B6C9_22_spg191
PdAu AcPd3Au2 Pd3Au
2023-06-18 20:10:51.497154
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657250).
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 agm005657250
data_agm005657250
_cell_length_a 5.57534
_cell_length_b 5.57534
_cell_length_c 13.50333
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 119.99999
_cell_volume 363.50802
_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
Ac1 Ac 0.00000 0.00000 0.70103 1.00000
Ac2 Ac 1.00000 0.00000 0.29897 1.00000
Pd1 Pd 0.50000 0.00000 0.83356 1.00000
Pd2 Pd 0.00000 0.50000 0.83356 1.00000
Pd3 Pd 0.50000 0.50000 0.83356 1.00000
Pd4 Pd 0.50000 0.00000 0.16644 1.00000
Pd5 Pd 1.00000 0.50000 0.16644 1.00000
Pd6 Pd 0.50000 0.50000 0.16644 1.00000
Pd7 Pd 0.50000 0.00000 0.50000 1.00000
Pd8 Pd 0.00000 0.50000 0.50000 1.00000
Pd9 Pd 0.50000 0.50000 0.50000 1.00000
Au1 Au 0.33333 0.66667 0.00000 1.00000
Au2 Au 0.66667 0.33333 0.00000 1.00000
Au3 Au 0.33333 0.66667 0.66585 1.00000
Au4 Au 0.66667 0.33333 0.66585 1.00000
Au5 Au 0.66667 0.33333 0.33415 1.00000
Au6 Au 0.33333 0.66667 0.33415 1.00000
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