Li5H5Pt2
Alexandria ALEXAlex-ID: agm006368243 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_46_spg12
Li2H2Pt LiH
2024-02-24 13:56:19
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006368243).
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 agm006368243
data_agm006368243
_cell_length_a 4.89726
_cell_length_b 4.89726
_cell_length_c 8.08006
_cell_angle_alpha 86.24438
_cell_angle_beta 86.24438
_cell_angle_gamma 36.35057
_cell_volume 114.58816
_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 0.50000 0.50000 0.50000 1.00000
Li2 Li 0.63932 0.63932 0.94556 1.00000
Li3 Li 0.77484 0.77484 0.33540 1.00000
Li4 Li 0.22516 0.22516 0.66460 1.00000
Li5 Li 0.36068 0.36068 0.05444 1.00000
H1 H 0.15009 0.15009 0.40741 1.00000
H2 H 0.53896 0.53896 0.74112 1.00000
H3 H 0.46104 0.46104 0.25888 1.00000
H4 H 0.84991 0.84991 0.59259 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.93886 0.93886 0.78203 1.00000
Pt2 Pt 0.06114 0.06114 0.21797 1.00000
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