Ac(Al3Ni)2
Alexandria ALEXAlex-ID: agm005657556 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1365_spg71
AcAl5Ni2 Al3Ni AcAl4
2023-07-06 10:29:24.262801
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657556).
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 agm005657556
data_agm005657556
_cell_length_a 4.25765
_cell_length_b 6.65794
_cell_length_c 6.65794
_cell_angle_alpha 74.40788
_cell_angle_beta 71.28603
_cell_angle_gamma 71.28602
_cell_volume 166.38668
_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 0.00000 1.00000
Al1 Al 0.21846 0.11879 0.44448 1.00000
Al2 Al 0.78154 0.88121 0.55552 1.00000
Al3 Al 0.78154 0.55552 0.88121 1.00000
Al4 Al 0.50000 0.67368 0.32632 1.00000
Al5 Al 0.50000 0.32632 0.67368 1.00000
Al6 Al 0.21846 0.44448 0.11879 1.00000
Ni1 Ni 0.29554 0.70402 0.70402 1.00000
Ni2 Ni 0.70446 0.29598 0.29598 1.00000
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