Pm5(InPb)2
Alexandria ALEXAlex-ID: agm003314865 · 空间群: Ima2 (#46)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_204_spg46
Pm4Pb3 PmIn Pm5Pb3
2022-01-19 23:52:28.320054
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003314865).
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 agm003314865
data_agm003314865
_cell_length_a 9.56455
_cell_length_b 6.49756
_cell_length_c 10.71496
_cell_angle_alpha 107.64993
_cell_angle_beta 116.50764
_cell_angle_gamma 90.00000
_cell_volume 560.64620
_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
Pm1 Pm 0.18041 0.64499 0.83166 1.00000
Pm2 Pm 0.81959 0.81333 0.16834 1.00000
Pm3 Pm 0.15126 0.14499 0.83166 1.00000
Pm4 Pm 0.84874 0.31333 0.16834 1.00000
Pm5 Pm 0.29338 0.14203 0.30998 1.00000
Pm6 Pm 0.70662 0.83205 0.69002 1.00000
Pm7 Pm 0.51660 0.64203 0.30998 1.00000
Pm8 Pm 0.48340 0.33205 0.69002 1.00000
Pm9 Pm 0.25057 0.73810 0.50000 1.00000
Pm10 Pm 0.74943 0.23810 0.50000 1.00000
In1 In 0.13820 0.56626 0.14627 1.00000
In2 In 0.86180 0.41999 0.85373 1.00000
In3 In 0.50807 0.06626 0.14627 1.00000
In4 In 0.49193 0.91999 0.85373 1.00000
Pb1 Pb 0.00000 0.94505 0.00000 1.00000
Pb2 Pb 0.50000 0.44505 0.00000 1.00000
Pb3 Pb 0.09609 0.23422 0.50000 1.00000
Pb4 Pb 0.90391 0.73422 0.50000 1.00000
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