Sm2Dy8Er
Alexandria ALEXAlex-ID: agm005836629 · 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
AB2C8_278_spg12
Sm3(DyEr2)2 Sm2DyEr6 SmDy5
2023-09-30 03:26:51
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005836629).
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 agm005836629
data_agm005836629
_cell_length_a 5.02079
_cell_length_b 7.95209
_cell_length_c 9.39976
_cell_angle_alpha 104.68682
_cell_angle_beta 105.49000
_cell_angle_gamma 90.00000
_cell_volume 348.91991
_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 0.22694 0.63690 0.45389 1.00000
Sm2 Sm 0.77306 0.36310 0.54611 1.00000
Dy1 Dy 0.59011 0.45347 0.18022 1.00000
Dy2 Dy 0.31869 0.09136 0.63738 1.00000
Dy3 Dy 0.13537 0.17923 0.27073 1.00000
Dy4 Dy 0.04484 0.72767 0.08968 1.00000
Dy5 Dy 0.86463 0.82077 0.72927 1.00000
Dy6 Dy 0.68131 0.90864 0.36262 1.00000
Dy7 Dy 0.40989 0.54653 0.81978 1.00000
Dy8 Dy 0.95516 0.27233 0.91032 1.00000
Er1 Er 0.50000 0.00000 0.00000 1.00000
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