LiHo(H3Pt)2
Alexandria ALEXAlex-ID: agm007454841 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_420_spg15
Ho(H3Pt)4 HoH3Pt HoHPt3 Li2H6Pt
2024-02-09 05:03:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007454841).
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 agm007454841
data_agm007454841
_cell_length_a 5.94350
_cell_length_b 5.94350
_cell_length_c 5.75160
_cell_angle_alpha 79.51116
_cell_angle_beta 79.51116
_cell_angle_gamma 101.76168
_cell_volume 190.45121
_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 0.59021 0.40979 0.75000 1.00000
Li2 Li 0.40979 0.59021 0.25000 1.00000
Ho1 Ho 0.16482 0.83518 0.75000 1.00000
Ho2 Ho 0.83518 0.16482 0.25000 1.00000
H1 H 0.55358 0.09350 0.62391 1.00000
H2 H 0.90650 0.44642 0.87609 1.00000
H3 H 0.44642 0.90650 0.37609 1.00000
H4 H 0.09350 0.55358 0.12391 1.00000
H5 H 0.81488 0.80678 0.53137 1.00000
H6 H 0.19322 0.18512 0.96863 1.00000
H7 H 0.18512 0.19322 0.46863 1.00000
H8 H 0.80678 0.81488 0.03137 1.00000
H9 H 0.46701 0.68936 0.88591 1.00000
H10 H 0.31064 0.53299 0.61409 1.00000
H11 H 0.53299 0.31064 0.11409 1.00000
H12 H 0.68936 0.46701 0.38591 1.00000
Pt1 Pt 0.93971 0.68144 0.31416 1.00000
Pt2 Pt 0.31856 0.06029 0.18584 1.00000
Pt3 Pt 0.06029 0.31856 0.68584 1.00000
Pt4 Pt 0.68144 0.93971 0.81416 1.00000
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