Si2H5Pt2
Alexandria ALEXAlex-ID: agm007307912 · 空间群: Ima2 (#46)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_273_spg46
SiH20 SiPt2 SiPt
2024-02-09 14:32:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007307912).
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}
}
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# CIF generated by HEAS from Alexandria entry agm007307912
data_agm007307912
_cell_length_a 8.08623
_cell_length_b 8.08623
_cell_length_c 8.08623
_cell_angle_alpha 145.11808
_cell_angle_beta 137.47538
_cell_angle_gamma 56.12939
_cell_volume 202.84536
_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
Si1 Si 0.50000 0.13777 0.63777 1.00000
Si2 Si 0.00000 0.63777 0.63777 1.00000
Si3 Si 0.50380 0.38233 0.38614 1.00000
Si4 Si 0.49620 0.88233 0.87853 1.00000
H1 H 0.11160 0.04805 0.39032 1.00000
H2 H 0.88840 0.27872 0.93646 1.00000
H3 H 0.15774 0.54805 0.93646 1.00000
H4 H 0.84226 0.77872 0.39032 1.00000
H5 H 0.19970 0.00255 0.08372 1.00000
H6 H 0.80030 0.88403 0.80286 1.00000
H7 H 0.41883 0.50255 0.80286 1.00000
H8 H 0.58117 0.38403 0.08372 1.00000
H9 H 0.03540 0.15312 0.68852 1.00000
H10 H 0.96460 0.65312 0.11772 1.00000
Pt1 Pt 0.68743 0.53925 0.92558 1.00000
Pt2 Pt 0.31257 0.23815 0.85183 1.00000
Pt3 Pt 0.11368 0.03925 0.85183 1.00000
Pt4 Pt 0.88632 0.73815 0.92558 1.00000
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