Ce(PuH2)2
Alexandria ALEXAlex-ID: agm005994534 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_713_spg139
Pu2H5 Pu CeH2
2023-07-11 11:01:42.589593
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994534).
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 agm005994534
data_agm005994534
_cell_length_a 5.10512
_cell_length_b 5.10512
_cell_length_c 5.10510
_cell_angle_alpha 109.18235
_cell_angle_beta 109.18235
_cell_angle_gamma 110.05081
_cell_volume 102.41402
_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 0.78658 0.78658 0.00000 1.00000
Pu1 Pu 0.78448 0.28448 0.50000 1.00000
Pu2 Pu 0.28448 0.78448 0.50000 1.00000
H1 H 0.78596 0.78596 0.49969 1.00000
H2 H 0.28628 0.28628 0.50031 1.00000
H3 H 0.28627 0.78596 1.00000 1.00000
H4 H 0.78596 0.28627 1.00000 1.00000
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