Sm8HgPb4
Alexandria ALEXAlex-ID: agm097784530 · 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
AB4C8_426_spg2
Sm2Hg Sm5Pb3 SmHg
2025-06-18 23:39:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097784530).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm097784530
data_agm097784530
_cell_length_a 4.70398
_cell_length_b 9.69814
_cell_length_c 10.19232
_cell_angle_alpha 117.38643
_cell_angle_beta 89.97098
_cell_angle_gamma 90.01608
_cell_volume 412.85977
_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 0.73132 0.13090 0.41314 1.00000
Sm2 Sm 0.73085 0.11966 0.77839 1.00000
Sm3 Sm 0.73086 0.72965 0.34933 1.00000
Sm4 Sm 0.73058 0.71792 0.84550 1.00000
Sm5 Sm 0.23066 0.36260 0.17756 1.00000
Sm6 Sm 0.23084 0.39995 0.72183 1.00000
Sm7 Sm 0.23071 0.80721 0.12743 1.00000
Sm8 Sm 0.23071 0.70234 0.58483 1.00000
Hg1 Hg 0.73015 0.07948 0.10779 1.00000
Pb1 Pb 0.23056 0.99235 0.90318 1.00000
Pb2 Pb 0.23117 0.99897 0.51926 1.00000
Pb3 Pb 0.73086 0.49183 0.00249 1.00000
Pb4 Pb 0.73071 0.46717 0.46927 1.00000
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