RbSiPd
Alexandria ALEXAlex-ID: agm017279508 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_12736_spg2
SiPd Rb
2024-09-13 13:04:56.617501
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017279508).
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 agm017279508
data_agm017279508
_cell_length_a 4.57341
_cell_length_b 4.57236
_cell_length_c 10.37622
_cell_angle_alpha 92.26748
_cell_angle_beta 91.33992
_cell_angle_gamma 102.43435
_cell_volume 211.61105
_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
Rb1 Rb 0.72313 0.73676 0.28609 1.00000
Rb2 Rb 0.27687 0.26324 0.71391 1.00000
Si1 Si 0.18889 0.19084 0.06623 1.00000
Si2 Si 0.81111 0.80916 0.93377 1.00000
Pd1 Pd 0.70153 0.29871 0.00017 1.00000
Pd2 Pd 0.29847 0.70129 0.99983 1.00000
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