Li3HPt5
Alexandria ALEXAlex-ID: agm072332852 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1069_spg12
Li2H4Pt LiPt3 LiPt
2024-09-24 11:28:56.533395
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072332852).
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 agm072332852
data_agm072332852
_cell_length_a 4.85744
_cell_length_b 4.90400
_cell_length_c 5.80360
_cell_angle_alpha 99.56536
_cell_angle_beta 100.54707
_cell_angle_gamma 113.21401
_cell_volume 120.48382
_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 0.34729 0.36538 0.63834 1.00000
Li2 Li 0.10565 0.08589 0.13116 1.00000
Li3 Li 0.85912 0.82290 0.62518 1.00000
H1 H 0.64149 0.96652 0.13229 1.00000
Pt1 Pt 0.60237 0.57593 0.13205 1.00000
Pt2 Pt 0.49948 0.99169 0.83158 1.00000
Pt3 Pt 0.70194 0.19955 0.43147 1.00000
Pt4 Pt 0.02056 0.50709 0.89374 1.00000
Pt5 Pt 0.18881 0.67277 0.36928 1.00000
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