In2BiPb2
Alexandria ALEXAlex-ID: agm005819086 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_443_spg139
In Bi Pb
2023-08-03 18:36:40.779886
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005819086).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005819086
data_agm005819086
_cell_length_a 4.14046
_cell_length_b 4.14042
_cell_length_c 9.26900
_cell_angle_alpha 102.90575
_cell_angle_beta 102.90587
_cell_angle_gamma 90.00000
_cell_volume 150.76588
_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 0.59534 0.59534 0.19068 1.00000
In2 In 0.40466 0.40466 0.80932 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.80253 0.80253 0.60506 1.00000
Pb2 Pb 0.19747 0.19747 0.39494 1.00000
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