Dy3Tl2Ni
Alexandria ALEXAlex-ID: agm003418686 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1015_spg15
Dy5Tl4 Dy2TlNi2 DyNi
2022-02-13 18:33:57.002487
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003418686).
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 agm003418686
data_agm003418686
_cell_length_a 7.72966
_cell_length_b 6.65585
_cell_length_c 7.90438
_cell_angle_alpha 84.23915
_cell_angle_beta 80.04561
_cell_angle_gamma 54.50256
_cell_volume 326.09488
_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 0.45371 0.64377 0.77619 1.00000
Dy2 Dy 0.32924 1.00000 0.16993 1.00000
Dy3 Dy 0.54629 0.35623 0.22381 1.00000
Dy4 Dy 0.90252 0.64377 0.22381 1.00000
Dy5 Dy 0.09748 0.35623 0.77619 1.00000
Dy6 Dy 0.67076 0.00000 0.83007 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Tl2 Tl 0.50000 0.00000 0.50000 1.00000
Tl3 Tl 0.14006 0.71989 0.50000 1.00000
Tl4 Tl 0.85994 0.28011 0.50000 1.00000
Ni1 Ni 0.70984 0.58032 1.00000 1.00000
Ni2 Ni 0.29016 0.41968 0.00000 1.00000
获取直接链接