Li2Pu3Cd7
Alexandria ALEXAlex-ID: agm024406828 · 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_3_spg166
PuCd2 Pu LiCd
2025-05-16 20:38:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024406828).
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 agm024406828
data_agm024406828
_cell_length_a 9.91034
_cell_length_b 9.91034
_cell_length_c 9.91034
_cell_angle_alpha 34.64373
_cell_angle_beta 34.64373
_cell_angle_gamma 34.64373
_cell_volume 280.68192
_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
Li1 Li 0.33318 0.33318 0.33318 1.00000
Li2 Li 0.66682 0.66682 0.66682 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Pu2 Pu 0.14474 0.14474 0.14474 1.00000
Pu3 Pu 0.85526 0.85526 0.85526 1.00000
Cd1 Cd 0.50000 0.50000 0.50000 1.00000
Cd2 Cd 0.07625 0.57977 0.57977 1.00000
Cd3 Cd 0.57977 0.57977 0.07625 1.00000
Cd4 Cd 0.57977 0.07625 0.57977 1.00000
Cd5 Cd 0.92375 0.42023 0.42023 1.00000
Cd6 Cd 0.42023 0.92375 0.42023 1.00000
Cd7 Cd 0.42023 0.42023 0.92375 1.00000
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