SmDy5Y2Th
Alexandria ALEXAlex-ID: agm005153952 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_252_spg36
SmDy5 Y2Th
2023-01-19 15:57:44.289602
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005153952).
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 agm005153952
data_agm005153952
_cell_length_a 5.72107
_cell_length_b 11.05559
_cell_length_c 9.80900
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.99538
_cell_volume 599.29009
_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 0.80870 0.61739 0.51844 1.00000
Sm2 Sm 0.19130 0.38261 0.01844 1.00000
Dy1 Dy 0.40043 0.80087 0.03982 1.00000
Dy2 Dy 0.72665 0.45330 0.82276 1.00000
Dy3 Dy 0.46872 0.93744 0.73997 1.00000
Dy4 Dy 0.30401 0.60802 0.71293 1.00000
Dy5 Dy 0.98472 0.96944 0.51955 1.00000
Dy6 Dy 0.59957 0.19913 0.53982 1.00000
Dy7 Dy 0.27335 0.54670 0.32276 1.00000
Dy8 Dy 0.53128 0.06256 0.23997 1.00000
Dy9 Dy 0.69599 0.39198 0.21293 1.00000
Dy10 Dy 0.01528 0.03056 0.01955 1.00000
Y1 Y 0.88408 0.76817 0.83184 1.00000
Y2 Y 0.12650 0.25300 0.71479 1.00000
Y3 Y 0.11592 0.23183 0.33184 1.00000
Y4 Y 0.87350 0.74700 0.21479 1.00000
Th1 Th 0.59232 0.18464 0.92386 1.00000
Th2 Th 0.40768 0.81536 0.42386 1.00000
获取直接链接