PmDy2USb4
Alexandria ALEXAlex-ID: agm004871815 · 空间群: I-4m2 (#119)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_35_spg8
PmDy2Sb3 U4Sb5 U2Sb
2023-01-28 20:25:49.020482
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004871815).
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 agm004871815
data_agm004871815
_cell_length_a 6.23823
_cell_length_b 6.23823
_cell_length_c 7.63476
_cell_angle_alpha 114.11456
_cell_angle_beta 114.11346
_cell_angle_gamma 89.99949
_cell_volume 242.49972
_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
Pm1 Pm 0.50000 0.50000 0.00000 1.00000
Dy1 Dy 0.25000 0.75000 0.50000 1.00000
Dy2 Dy 0.00000 0.00000 0.00000 1.00000
U1 U 0.75000 0.25000 0.50000 1.00000
Sb1 Sb 0.99822 0.49822 0.99645 1.00000
Sb2 Sb 0.50177 0.00177 0.00354 1.00000
Sb3 Sb 0.75259 0.75258 0.50517 1.00000
Sb4 Sb 0.24742 0.24742 0.49483 1.00000
获取直接链接