Sm2AlZnCu6
Alexandria ALEXAlex-ID: agm004942579 · 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
ABC2D6_393_spg12
SmZn3Cu2 SmAlCu4 SmCu2
2023-01-09 22:40:53.322250
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004942579).
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 agm004942579
data_agm004942579
_cell_length_a 6.48273
_cell_length_b 6.49597
_cell_length_c 6.49583
_cell_angle_alpha 45.36678
_cell_angle_beta 81.28454
_cell_angle_gamma 98.48238
_cell_volume 179.43645
_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 0.20788 0.74925 0.54253 1.00000
Sm2 Sm 0.79212 0.25075 0.45747 1.00000
Al1 Al 0.50000 0.50000 0.00000 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.26168 0.76018 0.99796 1.00000
Cu2 Cu 0.57982 0.75158 0.17057 1.00000
Cu3 Cu 0.26194 0.25866 0.49895 1.00000
Cu4 Cu 0.73832 0.23982 0.00204 1.00000
Cu5 Cu 0.42018 0.24842 0.82943 1.00000
Cu6 Cu 0.73806 0.74134 0.50105 1.00000
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