Sm2USb3
Alexandria ALEXAlex-ID: agm005759942 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_103_spg139
U2Sb U4Sb5 SmSb
2023-08-24 17:33:15.359895
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759942).
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 agm005759942
data_agm005759942
_cell_length_a 4.44234
_cell_length_b 4.44231
_cell_length_c 9.90927
_cell_angle_alpha 102.97598
_cell_angle_beta 102.97453
_cell_angle_gamma 89.90201
_cell_volume 185.44908
_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 0.10194 0.10315 0.20921 1.00000
Sm2 Sm 0.76670 0.76792 0.53871 1.00000
U1 U 0.43405 0.43596 0.87395 1.00000
Sb1 Sb 0.93405 0.93598 0.87396 1.00000
Sb2 Sb 0.26977 0.27102 0.54488 1.00000
Sb3 Sb 0.59885 0.60009 0.20305 1.00000
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