Pu2SbH9
Alexandria ALEXAlex-ID: agm098226576 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C9_543_spg6
SbH3 PuH3
2025-04-30 10:30:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098226576).
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 agm098226576
data_agm098226576
_cell_length_a 6.85501
_cell_length_b 3.20766
_cell_length_c 8.88770
_cell_angle_alpha 90.00000
_cell_angle_beta 136.27454
_cell_angle_gamma 90.00000
_cell_volume 135.08031
_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
Pu1 Pu 0.72764 0.50000 0.26653 1.00000
Pu2 Pu 0.46589 0.50000 0.75896 1.00000
Sb1 Sb 0.19711 0.50000 0.25127 1.00000
H1 H 0.64130 0.00000 0.42385 1.00000
H2 H 0.11043 0.00000 0.50029 1.00000
H3 H 0.17073 0.00000 0.74134 1.00000
H4 H 0.67198 0.00000 0.03568 1.00000
H5 H 0.44084 0.00000 0.12716 1.00000
H6 H 0.80137 0.00000 0.81862 1.00000
H7 H 0.81187 0.00000 0.51340 1.00000
H8 H 0.29188 0.00000 0.87520 1.00000
H9 H 0.66894 0.00000 0.68769 1.00000
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