Ac6Cu2Ag
Alexandria ALEXAlex-ID: agm005801554 · 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_730_spg71
AcCu2 Ac AcAg
2023-07-06 23:29:42.577353
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005801554).
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 agm005801554
data_agm005801554
_cell_length_a 9.31652
_cell_length_b 9.31652
_cell_length_c 9.31652
_cell_angle_alpha 106.95242
_cell_angle_beta 109.43370
_cell_angle_gamma 112.06799
_cell_volume 621.25752
_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 0.54813 0.72336 0.82478 1.00000
Ac2 Ac 0.45187 0.27664 0.17522 1.00000
Ac3 Ac 0.10142 0.27664 0.82477 1.00000
Ac4 Ac 0.89858 0.72336 0.17523 1.00000
Ac5 Ac 0.81696 0.75406 0.57102 1.00000
Ac6 Ac 0.18304 0.24594 0.42898 1.00000
Ac7 Ac 0.18304 0.75406 0.93710 1.00000
Ac8 Ac 0.81696 0.24594 0.06290 1.00000
Ac9 Ac 0.68612 0.35972 0.67360 1.00000
Ac10 Ac 0.31388 0.64028 0.32640 1.00000
Ac11 Ac 0.31388 0.98749 0.67360 1.00000
Ac12 Ac 0.68612 0.01251 0.32640 1.00000
Cu1 Cu 0.50000 0.38602 0.88602 1.00000
Cu2 Cu 0.50000 0.61398 0.11398 1.00000
Cu3 Cu 0.65577 0.00000 0.65577 1.00000
Cu4 Cu 0.34423 1.00000 0.34423 1.00000
Ag1 Ag 0.00000 0.50000 0.50000 1.00000
Ag2 Ag 0.00000 0.00000 0.00000 1.00000
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