Ce3PuRh3
Alexandria ALEXAlex-ID: agm003545792 · 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
AB3C3_292_spg12
Pu CeRh
2022-04-04 09:40:44.616228
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545792).
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 agm003545792
data_agm003545792
_cell_length_a 6.77755
_cell_length_b 6.77709
_cell_length_c 7.17775
_cell_angle_alpha 89.98544
_cell_angle_beta 89.97793
_cell_angle_gamma 100.45936
_cell_volume 324.21067
_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 0.63419 0.63420 0.37660 1.00000
Ce2 Ce 0.17769 0.82231 0.50000 1.00000
Ce3 Ce 0.82231 0.17769 0.50000 1.00000
Ce4 Ce 0.24892 0.75108 0.00000 1.00000
Ce5 Ce 0.75108 0.24892 1.00000 1.00000
Ce6 Ce 0.36581 0.36580 0.62340 1.00000
Pu1 Pu 0.74366 0.74363 0.86871 1.00000
Pu2 Pu 0.25634 0.25637 0.13129 1.00000
Rh1 Rh 0.93437 0.93435 0.20473 1.00000
Rh2 Rh 0.99755 0.49217 0.72913 1.00000
Rh3 Rh 0.49221 0.99757 0.72911 1.00000
Rh4 Rh 0.00245 0.50783 0.27087 1.00000
Rh5 Rh 0.50779 0.00243 0.27089 1.00000
Rh6 Rh 0.06563 0.06565 0.79527 1.00000
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