Pm2Si2Pd3
Alexandria ALEXAlex-ID: agm003306751 · 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
A2B2C3_95_spg12
PmSiPd2 Pm3(SiPd)4 PmPd
2022-02-03 22:53:25.087169
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003306751).
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 agm003306751
data_agm003306751
_cell_length_a 3.96108
_cell_length_b 5.63378
_cell_length_c 7.09217
_cell_angle_alpha 113.20861
_cell_angle_beta 90.00000
_cell_angle_gamma 110.58202
_cell_volume 134.39862
_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
Pm1 Pm 0.86613 0.73226 0.22907 1.00000
Pm2 Pm 0.13387 0.26774 0.77093 1.00000
Si1 Si 0.84918 0.69837 0.77610 1.00000
Si2 Si 0.15082 0.30163 0.22390 1.00000
Pd1 Pd 0.50000 0.00000 0.00000 1.00000
Pd2 Pd 0.63231 0.26463 0.43293 1.00000
Pd3 Pd 0.36769 0.73537 0.56707 1.00000
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