SnH6C
Alexandria ALEXAlex-ID: agm071223745 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_1370_spg4
H4C SnH2
2024-08-07 23:38:48.249475
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071223745).
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 agm071223745
data_agm071223745
_cell_length_a 6.71086
_cell_length_b 6.01778
_cell_length_c 6.66885
_cell_angle_alpha 89.99612
_cell_angle_beta 90.00021
_cell_angle_gamma 88.24997
_cell_volume 269.19226
_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 0.57657 0.61214 0.31433 1.00000
Sn2 Sn 0.03427 0.38275 0.05718 1.00000
Sn3 Sn 0.84069 0.05452 0.55722 1.00000
Sn4 Sn 0.29837 0.82520 0.81435 1.00000
H1 H 0.21953 0.00136 0.39499 1.00000
H2 H 0.67335 0.06873 0.91376 1.00000
H3 H 0.46996 0.23068 0.61826 1.00000
H4 H 0.98984 0.94399 0.06830 1.00000
H5 H 0.89493 0.59536 0.93795 1.00000
H6 H 0.88521 0.49296 0.56839 1.00000
H7 H 0.18320 0.46670 0.48303 1.00000
H8 H 0.70481 0.19433 0.20098 1.00000
H9 H 0.69157 0.97084 0.98289 1.00000
H10 H 0.95902 0.90629 0.17087 1.00000
H11 H 0.45871 0.35472 0.62911 1.00000
H12 H 0.32238 0.03927 0.41870 1.00000
H13 H 0.65563 0.43703 0.89538 1.00000
H14 H 0.17377 0.63440 0.67086 1.00000
H15 H 0.40509 0.20679 0.11749 1.00000
H16 H 0.98017 0.84213 0.43791 1.00000
H17 H 0.70120 0.80291 0.17074 1.00000
H18 H 0.67116 0.70403 0.71057 1.00000
H19 H 0.41609 0.08281 0.12909 1.00000
H20 H 0.91584 0.53150 0.67075 1.00000
H21 H 0.17008 0.24301 0.70088 1.00000
H22 H 0.20374 0.73329 0.21062 1.00000
H23 H 0.20199 0.36916 0.41364 1.00000
H24 H 0.55291 0.39839 0.91858 1.00000
C1 C 0.08425 0.13267 0.79812 1.00000
C2 C 0.57894 0.81464 0.61341 1.00000
C3 C 0.29602 0.62273 0.11347 1.00000
C4 C 0.79070 0.30466 0.29815 1.00000
