Pu3Al7Pt4
Alexandria ALEXAlex-ID: agm005695820 · 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
A3B4C7_31_spg12
Pu4(Al8Pt3)3 PuAlPt
2023-06-29 16:55:10.868651
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695820).
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 agm005695820
data_agm005695820
_cell_length_a 4.27320
_cell_length_b 8.08953
_cell_length_c 8.49271
_cell_angle_alpha 69.43050
_cell_angle_beta 75.42895
_cell_angle_gamma 74.68538
_cell_volume 260.97023
_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
Pu1 Pu 0.31190 0.18480 0.19141 1.00000
Pu2 Pu 0.68810 0.81520 0.80859 1.00000
Pu3 Pu 0.00000 0.50000 0.50000 1.00000
Al1 Al 0.31821 0.83632 0.52726 1.00000
Al2 Al 0.49523 0.21139 0.79815 1.00000
Al3 Al 0.84206 0.38627 0.92962 1.00000
Al4 Al 0.68179 0.16368 0.47274 1.00000
Al5 Al 0.15794 0.61373 0.07038 1.00000
Al6 Al 0.00000 0.00000 0.00000 1.00000
Al7 Al 0.50477 0.78861 0.20185 1.00000
Pt1 Pt 0.65891 0.46126 0.22091 1.00000
Pt2 Pt 0.34109 0.53874 0.77909 1.00000
Pt3 Pt 0.88215 0.89161 0.34410 1.00000
Pt4 Pt 0.11785 0.10839 0.65590 1.00000
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