Pu4Ga2Pt5
Alexandria ALEXAlex-ID: agm005657402 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_206_spg10
Pu2GaPt3 PuGaPt PuPt
2023-06-21 15:33:12.461343
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657402).
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 agm005657402
data_agm005657402
_cell_length_a 3.90993
_cell_length_b 7.24599
_cell_length_c 8.26514
_cell_angle_alpha 88.58120
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 234.09076
_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 0.50000 0.72243 0.63749 1.00000
Pu2 Pu 0.50000 0.23504 0.87908 1.00000
Pu3 Pu 0.50000 0.27757 0.36251 1.00000
Pu4 Pu 0.50000 0.76496 0.12092 1.00000
Ga1 Ga 0.00000 0.08094 0.62846 1.00000
Ga2 Ga 0.00000 0.91906 0.37154 1.00000
Pt1 Pt 0.00000 0.57524 0.34155 1.00000
Pt2 Pt 0.00000 0.13157 0.12788 1.00000
Pt3 Pt 0.00000 0.50000 0.00000 1.00000
Pt4 Pt 0.00000 0.86843 0.87212 1.00000
Pt5 Pt 0.00000 0.42476 0.65845 1.00000
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