LiU3Pt5
Alexandria ALEXAlex-ID: agm072393360 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_922_spg8
UPt3 UPt LiPt
2024-09-24 15:52:49.357306
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072393360).
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 agm072393360
data_agm072393360
_cell_length_a 3.95900
_cell_length_b 6.94997
_cell_length_c 7.66222
_cell_angle_alpha 120.77056
_cell_angle_beta 104.99188
_cell_angle_gamma 89.96966
_cell_volume 172.75959
_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 0.68406 0.38211 0.35271 1.00000
U1 U 0.84858 0.89999 0.68205 1.00000
U2 U 0.57806 0.83421 0.14102 1.00000
U3 U 0.90987 0.42732 0.80524 1.00000
Pt1 Pt 0.48811 0.27279 0.96135 1.00000
Pt2 Pt 0.32719 0.58125 0.63964 1.00000
Pt3 Pt 0.07681 0.12487 0.13814 1.00000
Pt4 Pt 0.25956 0.09623 0.50543 1.00000
Pt5 Pt 0.14511 0.61780 0.27512 1.00000
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