SrSn5Pb2
Alexandria ALEXAlex-ID: agm006012005 · 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
AB2C5_257_spg139
SrSn3 Pb Sn
2023-09-05 10:25:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006012005).
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 agm006012005
data_agm006012005
_cell_length_a 5.60275
_cell_length_b 6.20308
_cell_length_c 7.95344
_cell_angle_alpha 105.97606
_cell_angle_beta 110.62317
_cell_angle_gamma 90.00031
_cell_volume 247.26283
_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
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.50000 0.50000 0.00000 1.00000
Sn2 Sn 0.65064 0.24255 0.30127 1.00000
Sn3 Sn 0.13049 0.57015 0.26099 1.00000
Sn4 Sn 0.34936 0.75745 0.69873 1.00000
Sn5 Sn 0.86951 0.42985 0.73901 1.00000
Pb1 Pb 0.26281 0.19248 0.52562 1.00000
Pb2 Pb 0.73719 0.80752 0.47438 1.00000
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