Tb5Nd2DySc
Alexandria ALEXAlex-ID: agm005162103 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_204_spg36
Tb5Dy Tb5Nd3 Sc TbDy5
2023-01-19 13:53:52.218575
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005162103).
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 agm005162103
data_agm005162103
_cell_length_a 5.56783
_cell_length_b 10.43813
_cell_length_c 10.40435
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.46836
_cell_volume 582.77460
_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 0.37350 0.74700 0.01941 1.00000
Tb2 Tb 0.72508 0.45017 0.82068 1.00000
Tb3 Tb 0.48352 0.96704 0.74223 1.00000
Tb4 Tb 0.29762 0.59525 0.70249 1.00000
Tb5 Tb 0.98439 0.96879 0.51557 1.00000
Tb6 Tb 0.62650 0.25300 0.51941 1.00000
Tb7 Tb 0.27492 0.54983 0.32068 1.00000
Tb8 Tb 0.51648 0.03296 0.24223 1.00000
Tb9 Tb 0.70238 0.40475 0.20249 1.00000
Tb10 Tb 0.01561 0.03121 0.01557 1.00000
Nd1 Nd 0.88644 0.77288 0.81333 1.00000
Nd2 Nd 0.11519 0.23039 0.73561 1.00000
Nd3 Nd 0.11356 0.22712 0.31333 1.00000
Nd4 Nd 0.88481 0.76961 0.23561 1.00000
Dy1 Dy 0.59298 0.18597 0.96023 1.00000
Dy2 Dy 0.40702 0.81403 0.46023 1.00000
Sc1 Sc 0.80463 0.60925 0.51442 1.00000
Sc2 Sc 0.19537 0.39075 0.01442 1.00000
获取直接链接