Al2Pd7
Alexandria ALEXAlex-ID: agm009351357 · 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
A2B7_52_spg12
Al3Pd7 AlPd5
2024-11-09 09:39:15.117806
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009351357).
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 agm009351357
data_agm009351357
_cell_length_a 5.71011
_cell_length_b 5.71011
_cell_length_c 6.37793
_cell_angle_alpha 75.01243
_cell_angle_beta 75.01243
_cell_angle_gamma 42.44889
_cell_volume 134.84573
_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
Al1 Al 0.21589 0.21589 0.19019 1.00000
Al2 Al 0.78411 0.78411 0.80981 1.00000
Pd1 Pd 0.42423 0.42423 0.84666 1.00000
Pd2 Pd 0.57577 0.57577 0.15334 1.00000
Pd3 Pd 0.12633 0.12633 0.84471 1.00000
Pd4 Pd 0.87367 0.87367 0.15529 1.00000
Pd5 Pd 0.00000 0.00000 0.50000 1.00000
Pd6 Pd 0.33794 0.33794 0.47639 1.00000
Pd7 Pd 0.66206 0.66206 0.52361 1.00000
获取直接链接