Pr5Pt2Au5
Alexandria ALEXAlex-ID: agm005665592 · 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_26_spg12
PrAu2 PrPt PrAu
2023-06-19 05:55:48.088644
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665592).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005665592
data_agm005665592
_cell_length_a 4.20502
_cell_length_b 8.70855
_cell_length_c 8.85971
_cell_angle_alpha 88.94461
_cell_angle_beta 76.27210
_cell_angle_gamma 76.02902
_cell_volume 305.58763
_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 0.00000 0.50000 0.50000 1.00000
Pr2 Pr 0.69851 0.69534 0.90764 1.00000
Pr3 Pr 0.37979 0.92545 0.31498 1.00000
Pr4 Pr 0.62021 0.07455 0.68502 1.00000
Pr5 Pr 0.30149 0.30466 0.09236 1.00000
Pt1 Pt 0.37726 0.49035 0.75514 1.00000
Pt2 Pt 0.62274 0.50965 0.24486 1.00000
Au1 Au 0.71975 0.20177 0.35873 1.00000
Au2 Au 0.93818 0.29411 0.82953 1.00000
Au3 Au 0.06182 0.70589 0.17047 1.00000
Au4 Au 0.28025 0.79823 0.64127 1.00000
Au5 Au 0.00000 0.00000 0.00000 1.00000
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