Dy2ThSb3
Alexandria ALEXAlex-ID: agm032111759 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_36_spg70
Dy2ThSb3
2024-12-11 23:38:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032111759).
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 agm032111759
data_agm032111759
_cell_length_a 14.72590
_cell_length_b 14.03980
_cell_length_c 7.65766
_cell_angle_alpha 79.57630
_cell_angle_beta 69.66451
_cell_angle_gamma 30.75919
_cell_volume 736.01311
_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
Dy1 Dy 0.00079 0.00079 0.49921 1.00000
Dy2 Dy 0.41594 0.41594 0.58406 1.00000
Dy3 Dy 0.83406 0.83406 0.66594 1.00000
Dy4 Dy 0.24921 0.24921 0.75079 1.00000
Dy5 Dy 0.75079 0.75079 0.24921 1.00000
Dy6 Dy 0.66594 0.66594 0.83406 1.00000
Dy7 Dy 0.58406 0.58406 0.41594 1.00000
Dy8 Dy 0.49921 0.49921 0.00079 1.00000
Th1 Th 0.91684 0.91684 0.08316 1.00000
Th2 Th 0.33316 0.33316 0.16684 1.00000
Th3 Th 0.16684 0.16684 0.33316 1.00000
Th4 Th 0.08316 0.08316 0.91684 1.00000
Sb1 Sb 0.66823 0.16729 0.82606 1.00000
Sb2 Sb 0.16729 0.66823 0.33842 1.00000
Sb3 Sb 0.58177 0.08271 0.42394 1.00000
Sb4 Sb 0.08271 0.58177 0.91158 1.00000
Sb5 Sb 0.50695 0.99305 0.99305 1.00000
Sb6 Sb 0.99305 0.50695 0.50695 1.00000
Sb7 Sb 0.91158 0.42394 0.08271 1.00000
Sb8 Sb 0.42394 0.91158 0.58177 1.00000
Sb9 Sb 0.33842 0.82606 0.16729 1.00000
Sb10 Sb 0.82606 0.33842 0.66823 1.00000
Sb11 Sb 0.74305 0.25695 0.25695 1.00000
Sb12 Sb 0.25695 0.74305 0.74305 1.00000
