Li2Sm2Si4Pd
Alexandria ALEXAlex-ID: agm004568950 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D4_166_spg139
LiSmSi2Pd LiSmSi2
2022-06-19 15:55:58.147093
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004568950).
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 agm004568950
data_agm004568950
_cell_length_a 6.10979
_cell_length_b 6.10979
_cell_length_c 6.10979
_cell_angle_alpha 88.06921
_cell_angle_beta 121.12093
_cell_angle_gamma 121.12093
_cell_volume 158.44335
_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
Li1 Li 0.00000 0.71518 0.71518 1.00000
Li2 Li 1.00000 0.28482 0.28482 1.00000
Sm1 Sm 0.50000 0.75000 0.25000 1.00000
Sm2 Sm 0.50000 0.25000 0.75000 1.00000
Si1 Si 0.00000 0.70920 0.29080 1.00000
Si2 Si 0.41840 0.70920 0.70920 1.00000
Si3 Si 0.00000 0.29080 0.70920 1.00000
Si4 Si 0.58160 0.29080 0.29080 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
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