ZnSn3H8
Alexandria ALEXAlex-ID: agm006517554 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_245_spg8
SnH2 ZnH2
2024-03-01 02:59:42.810398
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006517554).
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 agm006517554
data_agm006517554
_cell_length_a 4.25405
_cell_length_b 4.25405
_cell_length_c 11.26331
_cell_angle_alpha 87.09303
_cell_angle_beta 87.09303
_cell_angle_gamma 92.30336
_cell_volume 203.12036
_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
Zn1 Zn 0.99278 0.99278 0.14303 1.00000
Sn1 Sn 0.92031 0.41960 0.36005 1.00000
Sn2 Sn 0.41960 0.92031 0.36005 1.00000
Sn3 Sn 0.50270 0.50270 0.12932 1.00000
H1 H 0.00502 0.00502 0.67220 1.00000
H2 H 0.96048 0.48510 0.81627 1.00000
H3 H 0.48510 0.96048 0.81627 1.00000
H4 H 0.46625 0.46625 0.69491 1.00000
H5 H 0.92513 0.92513 0.62307 1.00000
H6 H 0.94804 0.41098 0.87846 1.00000
H7 H 0.41098 0.94804 0.87846 1.00000
H8 H 0.46344 0.46344 0.62824 1.00000
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