Ac(GePd)2
Alexandria ALEXAlex-ID: agm013073404 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_14_spg70
Ac(GePd)2
2024-11-01 19:27:59.924745
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013073404).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm013073404
data_agm013073404
_cell_length_a 7.40478
_cell_length_b 7.40478
_cell_length_c 5.95001
_cell_angle_alpha 79.83886
_cell_angle_beta 79.83886
_cell_angle_gamma 132.43402
_cell_volume 216.52329
_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 0.12398 0.87602 0.25000 1.00000
Ac2 Ac 0.87602 0.12398 0.75000 1.00000
Ge1 Ge 0.79004 0.51859 0.86081 1.00000
Ge2 Ge 0.51859 0.79004 0.36081 1.00000
Ge3 Ge 0.48141 0.20996 0.63919 1.00000
Ge4 Ge 0.20996 0.48141 0.13919 1.00000
Pd1 Pd 0.73983 0.26017 0.25000 1.00000
Pd2 Pd 0.47381 0.52619 0.75000 1.00000
Pd3 Pd 0.26017 0.73983 0.75000 1.00000
Pd4 Pd 0.52619 0.47381 0.25000 1.00000
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