Sm7Er5
Alexandria ALEXAlex-ID: agm010147768 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
A5B7_455_spg3
SmEr2 Sm
2024-05-05 17:14:51.630335
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010147768).
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 agm010147768
data_agm010147768
_cell_length_a 9.47785
_cell_length_b 9.47785
_cell_length_c 11.89197
_cell_angle_alpha 80.15519
_cell_angle_beta 80.15519
_cell_angle_gamma 21.65982
_cell_volume 388.26629
_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 0.00013 0.00013 0.99823 1.00000
Sm2 Sm 0.41545 0.41545 0.24782 1.00000
Sm3 Sm 0.83319 0.83319 0.50169 1.00000
Sm4 Sm 0.24963 0.24963 0.75246 1.00000
Sm5 Sm 0.08505 0.08505 0.24790 1.00000
Sm6 Sm 0.50000 0.50000 0.50162 1.00000
Sm7 Sm 0.16657 0.16657 0.50037 1.00000
Er1 Er 0.66796 0.66796 0.99929 1.00000
Er2 Er 0.91662 0.91662 0.75287 1.00000
Er3 Er 0.33255 0.33255 0.99958 1.00000
Er4 Er 0.75024 0.75024 0.24748 1.00000
Er5 Er 0.58260 0.58260 0.75069 1.00000
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