SmDy2(TmMg)2
Alexandria ALEXAlex-ID: agm004553992 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_16_spg166
Sm2DyMg3 Dy2Mg SmDy5 DyTm5
2022-06-22 07:09:45.880673
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004553992).
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 agm004553992
data_agm004553992
_cell_length_a 5.42978
_cell_length_b 5.42978
_cell_length_c 8.56798
_cell_angle_alpha 71.52658
_cell_angle_beta 71.52658
_cell_angle_gamma 60.00000
_cell_volume 203.59435
_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 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.57209 0.57209 0.28373 1.00000
Dy2 Dy 0.42791 0.42791 0.71627 1.00000
Tm1 Tm 0.15509 0.15509 0.53473 1.00000
Tm2 Tm 0.84491 0.84491 0.46527 1.00000
Mg1 Mg 0.71120 0.71120 0.86639 1.00000
Mg2 Mg 0.28880 0.28880 0.13361 1.00000
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