BiPd6Pt
Alexandria ALEXAlex-ID: agm015313636 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_258_spg12
BiPd5 BiPd6 Pd2Pt3
2025-01-03 07:07:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015313636).
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 agm015313636
data_agm015313636
_cell_length_a 6.99493
_cell_length_b 6.42310
_cell_length_c 4.92346
_cell_angle_alpha 74.81436
_cell_angle_beta 62.39795
_cell_angle_gamma 42.78770
_cell_volume 132.03542
_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 0.50000 0.50000 1.00000
Pd1 Pd 0.62738 0.62738 0.87262 1.00000
Pd2 Pd 0.87262 0.87262 0.62738 1.00000
Pd3 Pd 0.24482 0.24482 0.75518 1.00000
Pd4 Pd 0.12738 0.12738 0.37262 1.00000
Pd5 Pd 0.37262 0.37262 0.12738 1.00000
Pd6 Pd 0.75518 0.75518 0.24482 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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