Li3(GePt)4
Alexandria ALEXAlex-ID: agm003377066 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_25_spg71
Li3(Ge2Pt)2 Li4Ge6Pt7 Li3(GePt)2
2022-02-09 04:00:01.712956
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003377066).
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 agm003377066
data_agm003377066
_cell_length_a 2.90840
_cell_length_b 4.53244
_cell_length_c 13.52495
_cell_angle_alpha 80.35736
_cell_angle_beta 83.73756
_cell_angle_gamma 89.79343
_cell_volume 174.70044
_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 0.14008 0.63915 0.72246 1.00000
Li2 Li 0.85994 0.36088 0.27754 1.00000
Li3 Li 0.00001 0.00001 1.00000 1.00000
Ge1 Ge 0.59362 0.09086 0.81845 1.00000
Ge2 Ge 0.26971 0.27036 0.45970 1.00000
Ge3 Ge 0.73032 0.72967 0.54030 1.00000
Ge4 Ge 0.40640 0.90916 0.18156 1.00000
Pt1 Pt 0.55614 0.55327 0.89409 1.00000
Pt2 Pt 0.44389 0.44676 0.10590 1.00000
Pt3 Pt 0.31613 0.81503 0.36935 1.00000
Pt4 Pt 0.68390 0.18499 0.63065 1.00000
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