PmPuPt
Alexandria ALEXAlex-ID: agm005677314 · 空间群: P-62m (#189)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_7266_spg189
Pu PmPt
2023-06-18 10:44:46.403832
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677314).
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 agm005677314
data_agm005677314
_cell_length_a 7.40765
_cell_length_b 8.83599
_cell_length_c 8.83599
_cell_angle_alpha 66.07882
_cell_angle_beta 65.21750
_cell_angle_gamma 65.21749
_cell_volume 457.83372
_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
Pm1 Pm 0.17028 0.04155 0.54155 1.00000
Pm2 Pm 0.75338 0.95845 0.45845 1.00000
Pm3 Pm 0.33671 0.75001 0.25000 1.00000
Pm4 Pm 0.33672 0.24999 0.75000 1.00000
Pm5 Pm 0.75339 0.45843 0.95842 1.00000
Pm6 Pm 0.17023 0.54157 0.04158 1.00000
Pu1 Pu 0.00260 1.00000 1.00000 1.00000
Pu2 Pu 0.00260 0.50000 0.50000 1.00000
Pu3 Pu 0.75292 0.37564 0.37558 1.00000
Pu4 Pu 0.50415 0.62436 0.62442 1.00000
Pu5 Pu 0.50416 0.12441 0.12435 1.00000
Pu6 Pu 0.75292 0.87559 0.87565 1.00000
Pt1 Pt 0.75364 0.24995 0.74996 1.00000
Pt2 Pt 0.75355 0.75005 0.25004 1.00000
Pt3 Pt 0.08623 0.16686 0.16687 1.00000
Pt4 Pt 0.41996 0.83314 0.83313 1.00000
Pt5 Pt 0.41996 0.33313 0.33314 1.00000
Pt6 Pt 0.08622 0.66687 0.66686 1.00000
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