SrLi2PtCl8
Alexandria ALEXAlex-ID: agm004909189 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_805_spg2
SrPtCl6 LiCl
2023-01-01 22:26:31.862849
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004909189).
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 agm004909189
data_agm004909189
_cell_length_a 6.43451
_cell_length_b 6.89113
_cell_length_c 8.25673
_cell_angle_alpha 65.04715
_cell_angle_beta 93.49372
_cell_angle_gamma 100.05123
_cell_volume 326.80947
_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
Sr1 Sr 0.00000 0.00000 0.50000 1.00000
Li1 Li 0.52039 0.32934 0.69751 1.00000
Li2 Li 0.47961 0.67066 0.30249 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.10722 0.76551 0.28313 1.00000
Cl2 Cl 0.67712 0.76513 0.03557 1.00000
Cl3 Cl 0.85425 0.19465 0.12767 1.00000
Cl4 Cl 0.89278 0.23449 0.71687 1.00000
Cl5 Cl 0.32288 0.23487 0.96443 1.00000
Cl6 Cl 0.14575 0.80535 0.87233 1.00000
Cl7 Cl 0.60251 0.71605 0.56099 1.00000
Cl8 Cl 0.39749 0.28395 0.43901 1.00000
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