NaSiPd2
Alexandria ALEXAlex-ID: agm005717841 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_30_spg63
Na2SiPd3 NaSi2Pd3
2023-07-12 07:24:04.955771
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005717841).
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 agm005717841
data_agm005717841
_cell_length_a 3.81252
_cell_length_b 5.63589
_cell_length_c 6.94275
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 109.76941
_cell_volume 140.38591
_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
Na1 Na 0.94577 0.89154 0.25000 1.00000
Na2 Na 0.05423 0.10846 0.75000 1.00000
Si1 Si 0.21709 0.43419 0.25000 1.00000
Si2 Si 0.78291 0.56581 0.75000 1.00000
Pd1 Pd 0.34445 0.68890 0.54870 1.00000
Pd2 Pd 0.65555 0.31110 0.45130 1.00000
Pd3 Pd 0.65555 0.31110 0.04870 1.00000
Pd4 Pd 0.34445 0.68890 0.95130 1.00000
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