SmPu2Sb3
Alexandria ALEXAlex-ID: agm005759950 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_4_spg71
PuSb2 Pu4Sb3 SmSb
2023-08-24 17:35:43.619220
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759950).
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 agm005759950
data_agm005759950
_cell_length_a 4.44091
_cell_length_b 6.27326
_cell_length_c 7.68803
_cell_angle_alpha 114.07905
_cell_angle_beta 106.78735
_cell_angle_gamma 90.00000
_cell_volume 185.50106
_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
Sm1 Sm 0.50000 0.00000 0.00000 1.00000
Pu1 Pu 0.16548 0.66547 0.33093 1.00000
Pu2 Pu 0.83452 0.33453 0.66907 1.00000
Sb1 Sb 0.50000 0.50000 0.00000 1.00000
Sb2 Sb 0.16996 0.16997 0.33994 1.00000
Sb3 Sb 0.83004 0.83003 0.66006 1.00000
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