Al2BiSe4
Alexandria ALEXAlex-ID: agm003451685 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_31_spg87
Al2BiSe4
2022-02-15 23:41:37.734082
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003451685).
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 agm003451685
data_agm003451685
_cell_length_a 6.47110
_cell_length_b 6.47110
_cell_length_c 6.47110
_cell_angle_alpha 103.85555
_cell_angle_beta 103.85555
_cell_angle_gamma 121.40272
_cell_volume 201.70133
_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 0.25000 0.75000 0.50000 1.00000
Al2 Al 0.75000 0.25000 0.50000 1.00000
Bi1 Bi 0.50000 0.50000 0.00000 1.00000
Se1 Se 0.33650 0.16330 0.49980 1.00000
Se2 Se 0.83670 0.33650 0.17320 1.00000
Se3 Se 0.16330 0.66350 0.82680 1.00000
Se4 Se 0.66350 0.83670 0.50020 1.00000
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