Li4AgPt2
Alexandria ALEXAlex-ID: agm005999022 · 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
AB2C4_28_spg97
Li2Pt LiAg LiPt
2023-10-13 17:57:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005999022).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005999022
data_agm005999022
_cell_length_a 5.80064
_cell_length_b 5.21032
_cell_length_c 5.21032
_cell_angle_alpha 72.55319
_cell_angle_beta 56.17517
_cell_angle_gamma 56.17517
_cell_volume 108.66567
_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 0.49964 0.50062 0.00033 1.00000
Li2 Li 0.50036 0.99967 0.49938 1.00000
Li3 Li 0.00006 0.99972 0.49986 1.00000
Li4 Li 0.99994 0.50014 0.00028 1.00000
Ag1 Ag 1.00000 0.00038 0.99962 1.00000
Pt1 Pt 0.50000 0.49978 0.50022 1.00000
Pt2 Pt 0.00000 0.49968 0.50032 1.00000
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