Ce5Pu2In5
Alexandria ALEXAlex-ID: agm005667488 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_15_spg12
Ce6PuIn2 CeIn3 Pu
2023-06-19 08:02:46.884912
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667488).
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 agm005667488
data_agm005667488
_cell_length_a 4.84147
_cell_length_b 9.37869
_cell_length_c 8.10101
_cell_angle_alpha 104.23864
_cell_angle_beta 72.61332
_cell_angle_gamma 75.04203
_cell_volume 317.63352
_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
Ce1 Ce 0.70269 0.22828 0.36634 1.00000
Ce2 Ce 0.97038 0.28834 0.77089 1.00000
Ce3 Ce 0.02962 0.71166 0.22911 1.00000
Ce4 Ce 0.29731 0.77172 0.63366 1.00000
Ce5 Ce 0.00000 0.00000 0.00000 1.00000
Pu1 Pu 0.35786 0.47569 0.80859 1.00000
Pu2 Pu 0.64214 0.52431 0.19141 1.00000
In1 In 0.00000 0.50000 0.50000 1.00000
In2 In 0.67758 0.72840 0.91644 1.00000
In3 In 0.34914 0.97722 0.32449 1.00000
In4 In 0.65086 0.02278 0.67551 1.00000
In5 In 0.32242 0.27160 0.08356 1.00000
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