Pu3Cd3Rh4
Alexandria ALEXAlex-ID: agm005686365 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C4_23_spg38
PuCdRh Cd41Rh8 PuRh2
2023-06-29 09:51:28.208490
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686365).
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 agm005686365
data_agm005686365
_cell_length_a 3.68203
_cell_length_b 7.48113
_cell_length_c 7.48113
_cell_angle_alpha 91.62140
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 205.99117
_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 0.50000 0.83946 0.16054 1.00000
Pu2 Pu 0.50000 0.33454 0.33678 1.00000
Pu3 Pu 0.50000 0.66322 0.66546 1.00000
Cd1 Cd 0.00000 0.48949 0.99575 1.00000
Cd2 Cd 0.00000 0.00425 0.51051 1.00000
Cd3 Cd 0.50000 0.16499 0.83501 1.00000
Rh1 Rh 0.00000 0.64348 0.35652 1.00000
Rh2 Rh 0.00000 0.37207 0.62793 1.00000
Rh3 Rh 0.00000 0.85586 0.86738 1.00000
Rh4 Rh 0.00000 0.13262 0.14414 1.00000
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