Pu3(SbH)2
Alexandria ALEXAlex-ID: agm006268019 · 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
A2B2C3_1637_spg2
Pu2SbH2 PuSb2 Pu4Sb3
2024-02-20 22:00:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006268019).
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 agm006268019
data_agm006268019
_cell_length_a 6.51759
_cell_length_b 6.51759
_cell_length_c 7.92027
_cell_angle_alpha 45.27334
_cell_angle_beta 45.27334
_cell_angle_gamma 38.85520
_cell_volume 140.51120
_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 0.00000 0.00000 0.50000 1.00000
Pu2 Pu 0.18815 0.18815 0.73777 1.00000
Pu3 Pu 0.81185 0.81185 0.26223 1.00000
Sb1 Sb 0.42903 0.42903 0.85425 1.00000
Sb2 Sb 0.57097 0.57097 0.14575 1.00000
H1 H 0.21786 0.21786 0.41947 1.00000
H2 H 0.78214 0.78214 0.58053 1.00000
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