CePu(H3Pt)2
Alexandria ALEXAlex-ID: agm007709147 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_420_spg15
CeH3Pt PuH3 Ce(HPt)3
2024-05-04 03:40:50.720290
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007709147).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm007709147
data_agm007709147
_cell_length_a 6.29022
_cell_length_b 6.29022
_cell_length_c 6.15026
_cell_angle_alpha 78.88137
_cell_angle_beta 78.88137
_cell_angle_gamma 102.79252
_cell_volume 225.68746
_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 0.85224 0.14776 0.25000 1.00000
Ce2 Ce 0.14776 0.85224 0.75000 1.00000
Pu1 Pu 0.43319 0.56681 0.25000 1.00000
Pu2 Pu 0.56681 0.43319 0.75000 1.00000
H1 H 0.44241 0.89956 0.38331 1.00000
H2 H 0.10044 0.55759 0.11669 1.00000
H3 H 0.55759 0.10044 0.61669 1.00000
H4 H 0.89956 0.44241 0.88331 1.00000
H5 H 0.16503 0.21411 0.48457 1.00000
H6 H 0.78589 0.83497 0.01543 1.00000
H7 H 0.83497 0.78589 0.51543 1.00000
H8 H 0.21411 0.16503 0.98457 1.00000
H9 H 0.55193 0.27696 0.13013 1.00000
H10 H 0.72304 0.44807 0.36987 1.00000
H11 H 0.44807 0.72304 0.86987 1.00000
H12 H 0.27696 0.55193 0.63013 1.00000
Pt1 Pt 0.03936 0.32574 0.68931 1.00000
Pt2 Pt 0.67426 0.96064 0.81069 1.00000
Pt3 Pt 0.96064 0.67426 0.31069 1.00000
Pt4 Pt 0.32574 0.03936 0.18931 1.00000
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