Pr3PdPt3
Alexandria ALEXAlex-ID: agm005963657 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C3_599_spg44
PrPdPt PrPt
2023-08-06 12:41:39.647064
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005963657).
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 agm005963657
data_agm005963657
_cell_length_a 4.33869
_cell_length_b 4.02225
_cell_length_c 10.11084
_cell_angle_alpha 101.47308
_cell_angle_beta 102.38950
_cell_angle_gamma 90.00001
_cell_volume 168.72610
_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
Pr1 Pr 0.31353 0.81353 0.62707 1.00000
Pr2 Pr 0.68583 0.18583 0.37166 1.00000
Pr3 Pr 0.00282 0.00282 0.00564 1.00000
Pd1 Pd 0.43130 0.43130 0.86260 1.00000
Pt1 Pt 0.15583 0.65583 0.31165 1.00000
Pt2 Pt 0.84391 0.34391 0.68783 1.00000
Pt3 Pt 0.56677 0.56677 0.13355 1.00000
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