Al3In2Bi3
Alexandria ALEXAlex-ID: agm009259574 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_1688_spg164
Al In Bi
2024-06-28 16:19:52.017429
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009259574).
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 agm009259574
data_agm009259574
_cell_length_a 4.68685
_cell_length_b 4.68685
_cell_length_c 31.36258
_cell_angle_alpha 76.94632
_cell_angle_beta 76.94632
_cell_angle_gamma 119.84690
_cell_volume 533.41946
_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
Al1 Al 0.86048 0.36354 0.04630 1.00000
Al2 Al 0.36354 0.86048 0.54630 1.00000
Al3 Al 0.63646 0.13952 0.45370 1.00000
Al4 Al 0.13952 0.63646 0.95370 1.00000
Al5 Al 0.58211 0.41789 0.25000 1.00000
Al6 Al 0.41789 0.58211 0.75000 1.00000
In1 In 0.72590 0.88546 0.64834 1.00000
In2 In 0.88546 0.72590 0.14834 1.00000
In3 In 0.11454 0.27410 0.85166 1.00000
In4 In 0.27410 0.11454 0.35166 1.00000
Bi1 Bi 0.41798 0.58785 0.08248 1.00000
Bi2 Bi 0.58785 0.41798 0.58248 1.00000
Bi3 Bi 0.41215 0.58202 0.41752 1.00000
Bi4 Bi 0.58202 0.41215 0.91752 1.00000
Bi5 Bi 0.24814 0.75186 0.25000 1.00000
Bi6 Bi 0.75186 0.24814 0.75000 1.00000
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