InSb2H7
Alexandria ALEXAlex-ID: agm006205181 · 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
AB2C7_857_spg1
SbH3 In InH2
2023-11-20 08:09:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006205181).
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 agm006205181
data_agm006205181
_cell_length_a 4.87791
_cell_length_b 4.77902
_cell_length_c 8.96343
_cell_angle_alpha 105.48307
_cell_angle_beta 90.02300
_cell_angle_gamma 120.46108
_cell_volume 171.24240
_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
H1 H 0.87383 0.05699 0.35310 1.00000
H2 H 0.95691 0.90728 0.66535 1.00000
H3 H 0.43018 0.15825 0.53339 1.00000
H4 H 0.85169 0.01331 0.01014 1.00000
H5 H 0.27608 0.63497 0.60286 1.00000
H6 H 0.57547 0.45910 0.38399 1.00000
H7 H 0.19158 0.68837 0.92374 1.00000
In1 In 0.06051 0.45723 0.05657 1.00000
Sb1 Sb 0.36054 0.04107 0.70455 1.00000
Sb2 Sb 0.65561 0.64083 0.23449 1.00000
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