SnH7Pt4
Alexandria ALEXAlex-ID: agm006514435 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C7_877_spg44
H3Pt SnPt3 SnPt
2024-02-29 12:58:12.101030
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006514435).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm006514435
data_agm006514435
_cell_length_a 8.20423
_cell_length_b 8.20423
_cell_length_c 8.20423
_cell_angle_alpha 154.89555
_cell_angle_beta 147.57806
_cell_angle_gamma 41.43920
_cell_volume 125.35163
_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
Sn1 Sn 0.47027 0.50000 0.97027 1.00000
H1 H 0.60876 0.14292 0.46585 1.00000
H2 H 0.78218 0.73232 0.04986 1.00000
H3 H 0.86250 0.37052 0.49198 1.00000
H4 H 0.32293 0.85708 0.46585 1.00000
H5 H 0.31753 0.26768 0.04986 1.00000
H6 H 0.12145 0.62948 0.49198 1.00000
H7 H 0.88680 0.00000 0.88680 1.00000
Pt1 Pt 0.69285 0.25584 0.43700 1.00000
Pt2 Pt 0.18116 0.74416 0.43700 1.00000
Pt3 Pt 0.21865 0.09203 0.12663 1.00000
Pt4 Pt 0.03460 0.90797 0.12663 1.00000
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