TbDy2Se3
Alexandria ALEXAlex-ID: agm017178580 · 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_768_spg14
TbDy4Se5 Tb4DySe5
2024-12-04 11:12:30
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017178580).
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 agm017178580
data_agm017178580
_cell_length_a 5.76446
_cell_length_b 8.17489
_cell_length_c 12.24002
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 576.79711
_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
Tb1 Tb 0.75000 0.87753 0.08155 1.00000
Tb2 Tb 0.75000 0.37753 0.41845 1.00000
Tb3 Tb 0.25000 0.62247 0.58155 1.00000
Tb4 Tb 0.25000 0.12247 0.91845 1.00000
Dy1 Dy 0.75000 0.87524 0.75238 1.00000
Dy2 Dy 0.75000 0.37524 0.74762 1.00000
Dy3 Dy 0.75000 0.87258 0.41609 1.00000
Dy4 Dy 0.75000 0.37258 0.08391 1.00000
Dy5 Dy 0.25000 0.62742 0.91609 1.00000
Dy6 Dy 0.25000 0.12742 0.58391 1.00000
Dy7 Dy 0.25000 0.62476 0.25238 1.00000
Dy8 Dy 0.25000 0.12476 0.24762 1.00000
Se1 Se 0.75000 0.62809 0.58480 1.00000
Se2 Se 0.75000 0.12809 0.91520 1.00000
Se3 Se 0.75000 0.62229 0.91661 1.00000
Se4 Se 0.75000 0.12229 0.58339 1.00000
Se5 Se 0.75000 0.62504 0.24860 1.00000
Se6 Se 0.75000 0.12504 0.25140 1.00000
Se7 Se 0.25000 0.87496 0.74860 1.00000
Se8 Se 0.25000 0.37496 0.75140 1.00000
Se9 Se 0.25000 0.87771 0.41661 1.00000
Se10 Se 0.25000 0.37771 0.08339 1.00000
Se11 Se 0.25000 0.87191 0.08480 1.00000
Se12 Se 0.25000 0.37191 0.41520 1.00000
