Pm6In5Bi
Alexandria ALEXAlex-ID: agm006115579 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_50_spg71
PmIn PmBi
2023-08-28 05:47:27.095508
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115579).
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 agm006115579
data_agm006115579
_cell_length_a 5.09860
_cell_length_b 9.17508
_cell_length_c 9.17508
_cell_angle_alpha 112.22393
_cell_angle_beta 106.12555
_cell_angle_gamma 106.12548
_cell_volume 344.52205
_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 0.50000 0.17467 0.82533 1.00000
In2 In 0.00000 0.33345 0.66655 1.00000
In3 In 0.50000 0.50000 0.50000 1.00000
In4 In 1.00000 0.66655 0.33345 1.00000
In5 In 0.50000 0.82533 0.17467 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.24966 0.08329 0.41614 1.00000
Pm2 Pm 0.75034 0.58386 0.91671 1.00000
Pm3 Pm 0.75173 0.25218 0.25218 1.00000
Pm4 Pm 0.24827 0.74782 0.74782 1.00000
Pm5 Pm 0.24966 0.41614 0.08329 1.00000
Pm6 Pm 0.75034 0.91671 0.58386 1.00000
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