Ce2Pu2Hg2C
Alexandria ALEXAlex-ID: agm004556552 · 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
AB2C2D2_51_spg12
Ce6PuHg2C Pu3C2 Ce(PuHg3)2 Pu
2022-06-22 01:59:22.498697
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004556552).
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 agm004556552
data_agm004556552
_cell_length_a 3.70247
_cell_length_b 6.18858
_cell_length_c 7.34279
_cell_angle_alpha 76.01724
_cell_angle_beta 89.99829
_cell_angle_gamma 72.59248
_cell_volume 155.30798
_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 0.48831 0.02344 0.75702 1.00000
Ce2 Ce 0.51169 0.97656 0.24298 1.00000
Pu1 Pu 0.79942 0.40119 0.96327 1.00000
Pu2 Pu 0.20058 0.59881 0.03673 1.00000
Hg1 Hg 0.82437 0.35132 0.41123 1.00000
Hg2 Hg 0.17563 0.64868 0.58877 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
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