Pr2AlCu2Pt5
Alexandria ALEXAlex-ID: agm005131891 · 空间群: P4/mbm (#127)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D5_48_spg127
PrAl3Pt4 PrCu3Pt2 AlPt Pr15Pt32
2022-07-24 14:26:37.172361
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005131891).
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 agm005131891
data_agm005131891
_cell_length_a 3.84909
_cell_length_b 9.61993
_cell_length_c 9.61993
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 356.20625
_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 0.67600 0.17600 1.00000
Pr2 Pr 0.00000 0.32400 0.82400 1.00000
Pr3 Pr 0.00000 0.17600 0.32400 1.00000
Pr4 Pr 0.00000 0.82400 0.67600 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Al2 Al 0.00000 0.50000 0.50000 1.00000
Cu1 Cu 0.00000 0.12285 0.62285 1.00000
Cu2 Cu 0.00000 0.87715 0.37715 1.00000
Cu3 Cu 0.00000 0.62285 0.87715 1.00000
Cu4 Cu 0.00000 0.37715 0.12285 1.00000
Pt1 Pt 0.50000 0.20270 0.06260 1.00000
Pt2 Pt 0.50000 0.79730 0.93740 1.00000
Pt3 Pt 0.50000 0.06260 0.79730 1.00000
Pt4 Pt 0.50000 0.70270 0.43740 1.00000
Pt5 Pt 0.50000 0.93740 0.20270 1.00000
Pt6 Pt 0.50000 0.29730 0.56260 1.00000
Pt7 Pt 0.50000 0.56260 0.70270 1.00000
Pt8 Pt 0.50000 0.43740 0.29730 1.00000
Pt9 Pt 0.50000 0.50000 0.00000 1.00000
Pt10 Pt 0.50000 0.00000 0.50000 1.00000
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