Sm7Gd3Dy2
Alexandria ALEXAlex-ID: agm101320296 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_3_spg166
Sm3Dy5 Sm Gd
2025-05-17 13:28:17
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101320296).
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 agm101320296
data_agm101320296
_cell_length_a 6.26706
_cell_length_b 6.26701
_cell_length_c 12.22095
_cell_angle_alpha 75.16100
_cell_angle_beta 75.13665
_cell_angle_gamma 59.99718
_cell_volume 397.04777
_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 0.50000 0.50000 0.50000 1.00000
Sm2 Sm 0.58389 0.25025 0.24879 1.00000
Sm3 Sm 0.91792 0.58359 0.24878 1.00000
Sm4 Sm 0.25035 0.91774 0.24878 1.00000
Sm5 Sm 0.41611 0.74975 0.75121 1.00000
Sm6 Sm 0.74965 0.08226 0.75122 1.00000
Sm7 Sm 0.08208 0.41641 0.75122 1.00000
Gd1 Gd 0.00000 0.00000 0.00000 1.00000
Gd2 Gd 0.83344 0.83321 0.50016 1.00000
Gd3 Gd 0.16656 0.16679 0.49984 1.00000
Dy1 Dy 0.66664 0.66669 0.00013 1.00000
Dy2 Dy 0.33336 0.33331 0.99987 1.00000
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