Sm2Al2Ge
Alexandria ALEXAlex-ID: agm002328131 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_18_spg15
SmAl2 SmGe
2019-02-09 13:30:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002328131).
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 agm002328131
data_agm002328131
_cell_length_a 5.97395
_cell_length_b 5.97397
_cell_length_c 7.73828
_cell_angle_alpha 78.59715
_cell_angle_beta 78.59694
_cell_angle_gamma 59.63358
_cell_volume 232.00934
_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
Ge1 Ge 0.66898 0.33099 0.75001 1.00000
Ge2 Ge 0.33103 0.66899 0.24999 1.00000
Al1 Al 0.75854 0.51265 0.00264 1.00000
Al2 Al 0.48736 0.24146 0.49735 1.00000
Al3 Al 0.24145 0.48735 0.99738 1.00000
Al4 Al 0.51265 0.75855 0.50263 1.00000
Sm1 Sm 0.73898 0.97791 0.14228 1.00000
Sm2 Sm 0.02209 0.26102 0.35771 1.00000
Sm3 Sm 0.26102 0.02210 0.85772 1.00000
Sm4 Sm 0.97790 0.73899 0.64229 1.00000
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