PrPuRh
Alexandria ALEXAlex-ID: agm003609042 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_82_spg11
Pr3PuRh3 Pu
2022-03-09 20:15:39.018375
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003609042).
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 agm003609042
data_agm003609042
_cell_length_a 4.46535
_cell_length_b 6.00735
_cell_length_c 6.08680
_cell_angle_alpha 104.21933
_cell_angle_beta 89.99682
_cell_angle_gamma 90.00151
_cell_volume 158.27561
_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
Pr1 Pr 0.75228 0.58189 0.27743 1.00000
Pr2 Pr 0.25228 0.42582 0.72578 1.00000
Pu1 Pu 0.75225 0.97325 0.82782 1.00000
Pu2 Pu 0.25226 0.03447 0.17541 1.00000
Rh1 Rh 0.75222 0.14954 0.43466 1.00000
Rh2 Rh 0.25217 0.85818 0.56861 1.00000
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