InSn2Sb3
Alexandria ALEXAlex-ID: agm017262828 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1824_spg62
Sn4Sb3 Sb InSb
2025-04-14 01:58:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017262828).
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 agm017262828
data_agm017262828
_cell_length_a 6.12070
_cell_length_b 8.68401
_cell_length_c 13.24320
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 703.90574
_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 0.75000 0.37401 0.58590 1.00000
In2 In 0.75000 0.87401 0.91410 1.00000
In3 In 0.25000 0.12599 0.08590 1.00000
In4 In 0.25000 0.62599 0.41410 1.00000
Sn1 Sn 0.75000 0.37346 0.24799 1.00000
Sn2 Sn 0.75000 0.87346 0.25201 1.00000
Sn3 Sn 0.75000 0.37359 0.91619 1.00000
Sn4 Sn 0.75000 0.87359 0.58381 1.00000
Sn5 Sn 0.25000 0.12641 0.41619 1.00000
Sn6 Sn 0.25000 0.62641 0.08381 1.00000
Sn7 Sn 0.25000 0.12654 0.74799 1.00000
Sn8 Sn 0.25000 0.62654 0.75201 1.00000
Sb1 Sb 0.75000 0.12376 0.08303 1.00000
Sb2 Sb 0.75000 0.62376 0.41697 1.00000
Sb3 Sb 0.75000 0.12275 0.41587 1.00000
Sb4 Sb 0.75000 0.62275 0.08413 1.00000
Sb5 Sb 0.75000 0.12453 0.75038 1.00000
Sb6 Sb 0.75000 0.62453 0.74962 1.00000
Sb7 Sb 0.25000 0.37547 0.25038 1.00000
Sb8 Sb 0.25000 0.87547 0.24962 1.00000
Sb9 Sb 0.25000 0.37725 0.91587 1.00000
Sb10 Sb 0.25000 0.87725 0.58413 1.00000
Sb11 Sb 0.25000 0.37624 0.58303 1.00000
Sb12 Sb 0.25000 0.87624 0.91697 1.00000
