SmDy3Mg
Alexandria ALEXAlex-ID: agm005826331 · 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
ABC3_4938_spg12
Sm2DyMg3 Dy2Mg SmDy5
2023-07-04 17:19:21.297731
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005826331).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005826331
data_agm005826331
_cell_length_a 3.68517
_cell_length_b 6.72552
_cell_length_c 12.80011
_cell_angle_alpha 86.85396
_cell_angle_beta 90.00949
_cell_angle_gamma 74.10460
_cell_volume 304.61835
_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 0.23328 0.53373 0.75859 1.00000
Sm2 Sm 0.76672 0.46627 0.24141 1.00000
Dy1 Dy 0.15000 0.69988 0.44125 1.00000
Dy2 Dy 0.36581 0.26793 0.02367 1.00000
Dy3 Dy 0.03684 0.92643 0.18749 1.00000
Dy4 Dy 0.85000 0.30012 0.55875 1.00000
Dy5 Dy 0.96316 0.07357 0.81251 1.00000
Dy6 Dy 0.63419 0.73207 0.97633 1.00000
Mg1 Mg 0.55611 0.88750 0.62377 1.00000
Mg2 Mg 0.44389 0.11250 0.37623 1.00000
获取直接链接