In5Ga2Pb5
Alexandria ALEXAlex-ID: agm005652045 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_132_spg12
In Ga Pb
2023-06-19 00:34:30.417291
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652045).
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 agm005652045
data_agm005652045
_cell_length_a 3.48547
_cell_length_b 12.74027
_cell_length_c 8.99389
_cell_angle_alpha 59.17807
_cell_angle_beta 78.82721
_cell_angle_gamma 82.13789
_cell_volume 336.14003
_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 0.50000 0.50000 1.00000
In2 In 0.42516 0.25838 0.89131 1.00000
In3 In 0.32224 0.03564 0.31988 1.00000
In4 In 0.67776 0.96436 0.68012 1.00000
In5 In 0.57484 0.74162 0.10869 1.00000
Ga1 Ga 0.85800 0.49483 0.78918 1.00000
Ga2 Ga 0.14200 0.50517 0.21082 1.00000
Pb1 Pb 0.90169 0.76661 0.43000 1.00000
Pb2 Pb 0.24541 0.69774 0.81144 1.00000
Pb3 Pb 0.75459 0.30226 0.18856 1.00000
Pb4 Pb 0.09831 0.23339 0.57000 1.00000
Pb5 Pb 0.00000 0.00000 0.00000 1.00000
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