Dy12CoSb6
Alexandria ALEXAlex-ID: agm003692811 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C12_44_spg148
Dy5Sb3 Dy5CoSb2 Dy
2022-04-12 18:47:35.280056
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003692811).
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 agm003692811
data_agm003692811
_cell_length_a 8.50466
_cell_length_b 8.50466
_cell_length_c 8.50466
_cell_angle_alpha 99.63231
_cell_angle_beta 99.63231
_cell_angle_gamma 99.63231
_cell_volume 585.71778
_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 0.80376 0.58363 0.45164 1.00000
Dy2 Dy 0.45164 0.80376 0.58363 1.00000
Dy3 Dy 0.58363 0.45164 0.80376 1.00000
Dy4 Dy 0.19624 0.41637 0.54836 1.00000
Dy5 Dy 0.54836 0.19624 0.41637 1.00000
Dy6 Dy 0.41637 0.54836 0.19624 1.00000
Dy7 Dy 0.05693 0.99039 0.30655 1.00000
Dy8 Dy 0.00961 0.69345 0.94307 1.00000
Dy9 Dy 0.69345 0.94307 0.00961 1.00000
Dy10 Dy 0.94307 0.00961 0.69345 1.00000
Dy11 Dy 0.99039 0.30655 0.05693 1.00000
Dy12 Dy 0.30655 0.05693 0.99039 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.68663 0.88008 0.35595 1.00000
Sb2 Sb 0.64405 0.31337 0.11992 1.00000
Sb3 Sb 0.11992 0.64405 0.31337 1.00000
Sb4 Sb 0.31337 0.11992 0.64405 1.00000
Sb5 Sb 0.35595 0.68663 0.88008 1.00000
Sb6 Sb 0.88008 0.35595 0.68663 1.00000
获取直接链接