LiU(H4Pt)2
Alexandria ALEXAlex-ID: agm007569656 · 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
ABC2D8_757_spg148
U4H15 U(H3Pt)4 Li2H6Pt UPt3
2024-02-07 21:21:38
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007569656).
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 agm007569656
data_agm007569656
_cell_length_a 4.33661
_cell_length_b 4.88489
_cell_length_c 6.04277
_cell_angle_alpha 112.12227
_cell_angle_beta 89.95710
_cell_angle_gamma 116.41009
_cell_volume 104.04199
_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 0.00000 0.00000 0.00000 1.00000
U1 U 0.50000 0.00000 0.50000 1.00000
H1 H 0.44081 0.41827 0.31548 1.00000
H2 H 0.56051 0.12169 0.91873 1.00000
H3 H 0.55919 0.58173 0.68452 1.00000
H4 H 0.43949 0.87831 0.08127 1.00000
H5 H 0.02364 0.58168 0.68432 1.00000
H6 H 0.97636 0.41832 0.31568 1.00000
H7 H 0.03704 0.07447 0.68155 1.00000
H8 H 0.96296 0.92553 0.31845 1.00000
Pt1 Pt 0.25385 0.50728 0.85780 1.00000
Pt2 Pt 0.74615 0.49272 0.14220 1.00000
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