Ba2InSn5
Alexandria ALEXAlex-ID: agm006019906 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_1212_spg44
BaSn5 BaSn2 In
2023-08-26 00:31:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006019906).
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 agm006019906
data_agm006019906
_cell_length_a 6.48230
_cell_length_b 11.07700
_cell_length_c 7.29573
_cell_angle_alpha 40.52322
_cell_angle_beta 63.51510
_cell_angle_gamma 89.87096
_cell_volume 248.39368
_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
Ba1 Ba 0.21369 0.71369 0.57263 1.00000
Ba2 Ba 0.71679 0.21679 0.56642 1.00000
In1 In 0.97203 0.97203 0.05595 1.00000
Sn1 Sn 0.71480 0.71604 0.07062 1.00000
Sn2 Sn 0.71503 0.21358 0.07014 1.00000
Sn3 Sn 0.21483 0.71628 0.07015 1.00000
Sn4 Sn 0.21458 0.21334 0.07062 1.00000
Sn5 Sn 0.46126 0.46126 0.07749 1.00000
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