SrGa5Pd3
Alexandria ALEXAlex-ID: agm012380968 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_26_spg62
SrGa3Pd GaPd
2025-01-18 01:01:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012380968).
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 agm012380968
data_agm012380968
_cell_length_a 4.21009
_cell_length_b 7.47718
_cell_length_c 21.09424
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 664.03819
_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
Sr1 Sr 0.75000 0.61098 0.64125 1.00000
Sr2 Sr 0.25000 0.38902 0.35875 1.00000
Sr3 Sr 0.75000 0.88902 0.14125 1.00000
Sr4 Sr 0.25000 0.11098 0.85875 1.00000
Ga1 Ga 0.25000 0.84582 0.38524 1.00000
Ga2 Ga 0.25000 0.38886 0.97999 1.00000
Ga3 Ga 0.25000 0.20366 0.19920 1.00000
Ga4 Ga 0.75000 0.37053 0.48997 1.00000
Ga5 Ga 0.75000 0.12947 0.98997 1.00000
Ga6 Ga 0.75000 0.79634 0.80080 1.00000
Ga7 Ga 0.25000 0.59606 0.20992 1.00000
Ga8 Ga 0.75000 0.15418 0.61476 1.00000
Ga9 Ga 0.75000 0.09606 0.29008 1.00000
Ga10 Ga 0.75000 0.70366 0.30080 1.00000
Ga11 Ga 0.25000 0.65418 0.88524 1.00000
Ga12 Ga 0.75000 0.40394 0.79008 1.00000
Ga13 Ga 0.25000 0.87053 0.01003 1.00000
Ga14 Ga 0.25000 0.11114 0.47999 1.00000
Ga15 Ga 0.25000 0.62947 0.51003 1.00000
Ga16 Ga 0.75000 0.61114 0.02001 1.00000
Ga17 Ga 0.75000 0.34582 0.11476 1.00000
Ga18 Ga 0.75000 0.88886 0.52001 1.00000
Ga19 Ga 0.25000 0.90394 0.70992 1.00000
Ga20 Ga 0.25000 0.29634 0.69920 1.00000
Pd1 Pd 0.25000 0.90554 0.26555 1.00000
Pd2 Pd 0.75000 0.40554 0.23445 1.00000
Pd3 Pd 0.75000 0.09446 0.73445 1.00000
Pd4 Pd 0.25000 0.59446 0.76555 1.00000
Pd5 Pd 0.75000 0.67386 0.42820 1.00000
Pd6 Pd 0.25000 0.93176 0.58735 1.00000
Pd7 Pd 0.25000 0.56824 0.08735 1.00000
Pd8 Pd 0.75000 0.43176 0.91265 1.00000
Pd9 Pd 0.25000 0.32614 0.57180 1.00000
Pd10 Pd 0.75000 0.82614 0.92820 1.00000
Pd11 Pd 0.25000 0.17386 0.07180 1.00000
Pd12 Pd 0.75000 0.06824 0.41265 1.00000
