Sr2GePd6Au
Alexandria ALEXAlex-ID: agm004921963 · 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
ABC2D6_393_spg12
Sr2GePd6 SrGe2Pd5 Sr3(Ge3Pd10)2 SrPd2Au
2022-07-23 10:51:10.940520
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004921963).
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 agm004921963
data_agm004921963
_cell_length_a 6.62848
_cell_length_b 7.06950
_cell_length_c 7.05971
_cell_angle_alpha 46.06002
_cell_angle_beta 79.59315
_cell_angle_gamma 98.47377
_cell_volume 216.22766
_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 0.76146 0.23213 0.47113 1.00000
Sr2 Sr 0.23854 0.76787 0.52886 1.00000
Ge1 Ge 1.00000 1.00000 0.00000 1.00000
Pd1 Pd 0.22707 0.24815 0.51752 1.00000
Pd2 Pd 0.59147 0.74719 0.16467 1.00000
Pd3 Pd 0.23005 0.74612 0.02410 1.00000
Pd4 Pd 0.76995 0.25387 0.97590 1.00000
Pd5 Pd 0.40853 0.25281 0.83533 1.00000
Pd6 Pd 0.77293 0.75185 0.48248 1.00000
Au1 Au 0.50000 0.50000 0.00000 1.00000
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