Dy2PaSb3
Alexandria ALEXAlex-ID: agm005656945 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_35_spg14
Pa3Sb Pa3Sb4 DySb
2023-08-24 17:38:24.754286
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656945).
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 agm005656945
data_agm005656945
_cell_length_a 6.19418
_cell_length_b 8.75417
_cell_length_c 13.11818
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.99163
_cell_volume 711.33130
_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 0.25098 0.87592 0.74944 1.00000
Dy2 Dy 0.25098 0.37592 0.75056 1.00000
Dy3 Dy 0.24957 0.87655 0.41659 1.00000
Dy4 Dy 0.24957 0.37655 0.08341 1.00000
Dy5 Dy 0.75043 0.62345 0.91659 1.00000
Dy6 Dy 0.75043 0.12345 0.58341 1.00000
Dy7 Dy 0.74902 0.62408 0.24944 1.00000
Dy8 Dy 0.74902 0.12408 0.25056 1.00000
Pa1 Pa 0.24941 0.87588 0.08296 1.00000
Pa2 Pa 0.24941 0.37588 0.41704 1.00000
Pa3 Pa 0.75059 0.62412 0.58296 1.00000
Pa4 Pa 0.75059 0.12412 0.91704 1.00000
Sb1 Sb 0.25060 0.62659 0.58373 1.00000
Sb2 Sb 0.25060 0.12659 0.91627 1.00000
Sb3 Sb 0.25042 0.62690 0.91766 1.00000
Sb4 Sb 0.25042 0.12690 0.58234 1.00000
Sb5 Sb 0.24904 0.62561 0.24973 1.00000
Sb6 Sb 0.24904 0.12561 0.25027 1.00000
Sb7 Sb 0.75096 0.87439 0.74973 1.00000
Sb8 Sb 0.75096 0.37439 0.75027 1.00000
Sb9 Sb 0.74958 0.87310 0.41766 1.00000
Sb10 Sb 0.74958 0.37310 0.08234 1.00000
Sb11 Sb 0.74940 0.87341 0.08373 1.00000
Sb12 Sb 0.74940 0.37341 0.41627 1.00000
