Ce3Pu3Ge5
Alexandria ALEXAlex-ID: agm005679924 · 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
A3B3C5_59_spg189
PuGe Pu5Ge3 CeGe
2023-06-22 23:35:27.850094
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679924).
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 agm005679924
data_agm005679924
_cell_length_a 4.90416
_cell_length_b 8.49420
_cell_length_c 8.49420
_cell_angle_alpha 119.99999
_cell_angle_beta 89.99997
_cell_angle_gamma 90.00002
_cell_volume 306.43634
_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
Ce1 Ce 0.00000 0.54951 0.54951 1.00000
Ce2 Ce 0.00000 0.45049 1.00000 1.00000
Ce3 Ce 1.00000 1.00000 0.45049 1.00000
Pu1 Pu 0.50000 0.76366 0.76366 1.00000
Pu2 Pu 0.50000 1.00000 0.23634 1.00000
Pu3 Pu 0.50000 0.23634 1.00000 1.00000
Ge1 Ge 0.50000 0.33333 0.66667 1.00000
Ge2 Ge 0.50000 0.66667 0.33333 1.00000
Ge3 Ge 0.50000 0.38583 0.38583 1.00000
Ge4 Ge 0.50000 1.00000 0.61417 1.00000
Ge5 Ge 0.50000 0.61417 1.00000 1.00000
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