LiCe2Si2Pt7
Alexandria ALEXAlex-ID: agm004591128 · 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
AB2C2D7_153_spg12
CeSiPt3 LiPt
2022-06-25 14:04:25.552893
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004591128).
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 agm004591128
data_agm004591128
_cell_length_a 4.04875
_cell_length_b 4.04875
_cell_length_c 13.34699
_cell_angle_alpha 83.94738
_cell_angle_beta 83.94738
_cell_angle_gamma 89.31459
_cell_volume 216.35654
_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 0.00000 0.00000 1.00000
Ce1 Ce 0.89026 0.89026 0.34332 1.00000
Ce2 Ce 0.10974 0.10974 0.65668 1.00000
Si1 Si 0.58458 0.58458 0.75621 1.00000
Si2 Si 0.41542 0.41542 0.24379 1.00000
Pt1 Pt 0.50000 0.50000 0.00000 1.00000
Pt2 Pt 0.37616 0.37616 0.42259 1.00000
Pt3 Pt 0.62384 0.62384 0.57741 1.00000
Pt4 Pt 0.94882 0.44959 0.14839 1.00000
Pt5 Pt 0.44959 0.94882 0.14839 1.00000
Pt6 Pt 0.55041 0.05118 0.85161 1.00000
Pt7 Pt 0.05118 0.55041 0.85161 1.00000
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