Ac5Ni2Au5
Alexandria ALEXAlex-ID: agm005666371 · 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_19_spg12
Ac3Au4 AcNi5 AcAu
2023-06-19 04:18:06.568669
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666371).
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 agm005666371
data_agm005666371
_cell_length_a 4.22960
_cell_length_b 8.77543
_cell_length_c 9.38023
_cell_angle_alpha 87.78723
_cell_angle_beta 76.97051
_cell_angle_gamma 76.05492
_cell_volume 329.15576
_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 0.50000 0.50000 1.00000
Ac2 Ac 0.69511 0.69672 0.91307 1.00000
Ac3 Ac 0.38245 0.92091 0.31419 1.00000
Ac4 Ac 0.61755 0.07909 0.68581 1.00000
Ac5 Ac 0.30489 0.30328 0.08693 1.00000
Ni1 Ni 0.37617 0.49201 0.75565 1.00000
Ni2 Ni 0.62383 0.50799 0.24435 1.00000
Au1 Au 0.71162 0.21836 0.35840 1.00000
Au2 Au 0.92999 0.32110 0.81892 1.00000
Au3 Au 0.07001 0.67890 0.18108 1.00000
Au4 Au 0.28838 0.78164 0.64160 1.00000
Au5 Au 0.00000 0.00000 0.00000 1.00000
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