Li2Ac2Pt
Alexandria ALEXAlex-ID: agm005871027 · 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
AB2C2_460_spg71
LiAcPt Ac7Pt3 Li
2023-08-03 20:55:36.439160
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005871027).
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 agm005871027
data_agm005871027
_cell_length_a 4.76052
_cell_length_b 5.24706
_cell_length_c 6.40735
_cell_angle_alpha 65.82894
_cell_angle_beta 68.19249
_cell_angle_gamma 90.00000
_cell_volume 133.36260
_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 0.23690 0.50000 0.00000 1.00000
Li2 Li 0.76310 0.50000 1.00000 1.00000
Ac1 Ac 0.67875 0.17875 0.64250 1.00000
Ac2 Ac 0.32125 0.82125 0.35750 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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