Pu2Ga3Pt5
Alexandria ALEXAlex-ID: agm003345786 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C5_67_spg72
Pu2GaPt3 GaPt
2022-01-30 15:27:45.356229
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003345786).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003345786
data_agm003345786
_cell_length_a 5.71315
_cell_length_b 8.64099
_cell_length_c 8.64099
_cell_angle_alpha 79.69364
_cell_angle_beta 70.69577
_cell_angle_gamma 70.69577
_cell_volume 378.80013
_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 0.13252 0.59934 0.13562 1.00000
Pu2 Pu 0.63252 0.13562 0.59934 1.00000
Pu3 Pu 0.86748 0.40066 0.86438 1.00000
Pu4 Pu 0.36748 0.86438 0.40066 1.00000
Ga1 Ga 0.35764 0.53670 0.74802 1.00000
Ga2 Ga 0.85764 0.74802 0.53670 1.00000
Ga3 Ga 0.64236 0.46330 0.25198 1.00000
Ga4 Ga 0.14236 0.25198 0.46330 1.00000
Ga5 Ga 0.25000 0.00000 0.00000 1.00000
Ga6 Ga 0.75000 0.00000 0.00000 1.00000
Pt1 Pt 0.40192 0.27507 0.92110 1.00000
Pt2 Pt 0.90192 0.92110 0.27507 1.00000
Pt3 Pt 0.59808 0.72493 0.07890 1.00000
Pt4 Pt 0.09808 0.07890 0.72493 1.00000
Pt5 Pt 0.46544 0.78456 0.78456 1.00000
Pt6 Pt 0.53456 0.21544 0.21544 1.00000
Pt7 Pt 0.75000 0.50000 0.50000 1.00000
Pt8 Pt 0.25000 0.50000 0.50000 1.00000
Pt9 Pt 0.03456 0.21544 0.21544 1.00000
Pt10 Pt 0.96544 0.78456 0.78456 1.00000
