Pu3Cu7Rh2
Alexandria ALEXAlex-ID: agm024535048 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_62_spg12
PuCuRh Pu2Cu3Rh Cu
2025-05-16 03:49:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024535048).
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}
}
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# CIF generated by HEAS from Alexandria entry agm024535048
data_agm024535048
_cell_length_a 9.18629
_cell_length_b 9.18629
_cell_length_c 9.18629
_cell_angle_alpha 32.11218
_cell_angle_beta 32.11218
_cell_angle_gamma 32.11218
_cell_volume 194.66460
_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 0.00000 0.00000 0.00000 1.00000
Pu2 Pu 0.14601 0.14601 0.14601 1.00000
Pu3 Pu 0.85399 0.85399 0.85399 1.00000
Cu1 Cu 0.50000 0.50000 0.50000 1.00000
Cu2 Cu 0.08421 0.58341 0.58341 1.00000
Cu3 Cu 0.58341 0.58341 0.08421 1.00000
Cu4 Cu 0.58341 0.08421 0.58341 1.00000
Cu5 Cu 0.91579 0.41659 0.41659 1.00000
Cu6 Cu 0.41659 0.91579 0.41659 1.00000
Cu7 Cu 0.41659 0.41659 0.91579 1.00000
Rh1 Rh 0.33218 0.33218 0.33218 1.00000
Rh2 Rh 0.66782 0.66782 0.66782 1.00000
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