Sm2Cu3
Alexandria ALEXAlex-ID: agm002268985 · 空间群: Cmce (#64)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_60_spg64
SmCu SmCu2
2019-01-07 16:13:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002268985).
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
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# CIF generated by HEAS from Alexandria entry agm002268985
data_agm002268985
_cell_length_a 5.17886
_cell_length_b 5.46458
_cell_length_c 8.02304
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 118.17257
_cell_volume 200.15518
_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
Cu1 Cu 0.50001 0.00001 0.50000 1.00000
Cu2 Cu 0.00001 0.00001 0.00000 1.00000
Cu3 Cu 0.65792 0.81525 0.74983 1.00000
Cu4 Cu 0.84208 0.18475 0.24983 1.00000
Cu5 Cu 0.15792 0.81525 0.75017 1.00000
Cu6 Cu 0.34208 0.18475 0.25017 1.00000
Sm1 Sm 0.16184 0.32187 0.59934 1.00000
Sm2 Sm 0.83816 0.67812 0.40066 1.00000
Sm3 Sm 0.33816 0.67812 0.09934 1.00000
Sm4 Sm 0.66184 0.32187 0.90066 1.00000
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