In2Sn2H5
Alexandria ALEXAlex-ID: agm007368579 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_206_spg12
SnH2 In InH2
2024-08-14 03:07:40.960459
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007368579).
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 agm007368579
data_agm007368579
_cell_length_a 3.89291
_cell_length_b 4.87188
_cell_length_c 8.77754
_cell_angle_alpha 98.78117
_cell_angle_beta 92.02797
_cell_angle_gamma 68.44942
_cell_volume 152.98176
_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
In1 In 0.86586 0.29997 0.90293 1.00000
In2 In 0.21804 0.66821 0.12826 1.00000
Sn1 Sn 0.34786 0.29723 0.38722 1.00000
Sn2 Sn 0.50303 0.84018 0.72326 1.00000
H1 H 0.49898 0.04830 0.55171 1.00000
H2 H 0.48891 0.91228 0.25385 1.00000
H3 H 0.28149 0.61956 0.57680 1.00000
H4 H 0.86796 0.27064 0.40893 1.00000
H5 H 0.92786 0.04361 0.06705 1.00000
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