Ac3Zn2Ag
Alexandria ALEXAlex-ID: agm034250627 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_4640_spg44
Ac3ZnAg2 Ac4Zn3Ag
2024-11-13 23:45:59.003009
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034250627).
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 agm034250627
data_agm034250627
_cell_length_a 8.76772
_cell_length_b 8.76772
_cell_length_c 3.95204
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.12588
_cell_volume 182.30067
_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 0.50000 1.00000
Ac2 Ac 0.66773 0.33227 0.50000 1.00000
Ac3 Ac 0.33227 0.66773 0.50000 1.00000
Zn1 Zn 0.16961 0.83039 0.00000 1.00000
Zn2 Zn 0.83039 0.16961 0.00000 1.00000
Ag1 Ag 0.50000 0.50000 0.00000 1.00000
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