Bi2Pd7Pt
Alexandria ALEXAlex-ID: agm003512062 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_227_spg65
BiPd5 PdPt4 BiPd3
2022-03-13 06:53:19.116438
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003512062).
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 agm003512062
data_agm003512062
_cell_length_a 2.97839
_cell_length_b 9.02243
_cell_length_c 9.02244
_cell_angle_alpha 124.92718
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 198.78314
_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
Bi1 Bi 0.50000 0.68041 0.31959 1.00000
Bi2 Bi 0.50000 0.31959 0.68041 1.00000
Pd1 Pd 0.00000 0.82542 0.17458 1.00000
Pd2 Pd 0.00000 0.17458 0.82542 1.00000
Pd3 Pd 0.50000 0.13763 0.31510 1.00000
Pd4 Pd 0.50000 0.86237 0.68490 1.00000
Pd5 Pd 0.50000 0.31510 0.13763 1.00000
Pd6 Pd 0.50000 0.68490 0.86237 1.00000
Pd7 Pd 0.50000 0.50000 0.50000 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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