Pu2P3Rh5
Alexandria ALEXAlex-ID: agm005622166 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C5_276_spg36
Pu8P11Rh18 PuPRh3 Pu10P19Rh28
2023-06-25 05:45:21.557449
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005622166).
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 agm005622166
data_agm005622166
_cell_length_a 3.96538
_cell_length_b 6.38888
_cell_length_c 13.04354
_cell_angle_alpha 90.00000
_cell_angle_beta 98.74316
_cell_angle_gamma 90.00000
_cell_volume 326.60930
_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 0.48271 0.78549 0.96541 1.00000
Pu2 Pu 0.17769 0.74359 0.35538 1.00000
Pu3 Pu 0.82231 0.24359 0.64462 1.00000
Pu4 Pu 0.51729 0.28549 0.03459 1.00000
P1 P 0.78776 0.68296 0.57552 1.00000
P2 P 0.60945 0.51681 0.21890 1.00000
P3 P 0.05260 0.99601 0.10519 1.00000
P4 P 0.21224 0.18296 0.42448 1.00000
P5 P 0.94740 0.49601 0.89481 1.00000
P6 P 0.39055 0.01681 0.78110 1.00000
Rh1 Rh 0.40181 0.40992 0.80362 1.00000
Rh2 Rh 0.26481 0.48848 0.52961 1.00000
Rh3 Rh 0.73519 0.98848 0.47039 1.00000
Rh4 Rh 0.12036 0.23980 0.24072 1.00000
Rh5 Rh 0.30825 0.87591 0.61650 1.00000
Rh6 Rh 0.93527 0.12584 0.87054 1.00000
Rh7 Rh 0.69175 0.37591 0.38350 1.00000
Rh8 Rh 0.87964 0.73980 0.75928 1.00000
Rh9 Rh 0.06473 0.62584 0.12946 1.00000
Rh10 Rh 0.59819 0.90992 0.19638 1.00000
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