In8SnAs4
Alexandria ALEXAlex-ID: agm097490446 · 空间群: P3m1 (#156)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_190_spg12
In Sn InAs
2025-06-02 10:34:36
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097490446).
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 agm097490446
data_agm097490446
_cell_length_a 5.73110
_cell_length_b 8.52434
_cell_length_c 8.52052
_cell_angle_alpha 59.98520
_cell_angle_beta 89.93027
_cell_angle_gamma 90.00159
_cell_volume 360.43745
_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 0.69450 0.19852 0.19802 1.00000
In2 In 0.69472 0.60389 0.19768 1.00000
In3 In 0.67456 0.66648 0.66678 1.00000
In4 In 0.69380 0.19746 0.60524 1.00000
In5 In 0.26482 0.82108 0.35798 1.00000
In6 In 0.24760 0.33356 0.33287 1.00000
In7 In 0.26593 0.35758 0.82038 1.00000
In8 In 0.26615 0.82171 0.82050 1.00000
Sn1 Sn 0.61751 0.99940 0.00159 1.00000
As1 As 0.10658 0.99991 0.99990 1.00000
As2 As 0.99198 0.50057 0.99865 1.00000
As3 As 0.99089 0.50019 0.50015 1.00000
As4 As 0.99096 0.99966 0.50028 1.00000
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