TbDyRh
Alexandria ALEXAlex-ID: agm003604530 · 空间群: P-62m (#189)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_7266_spg189
Tb7Rh3 Dy5Rh3 Dy7Rh3
2022-03-15 20:17:16.294035
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003604530).
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 agm003604530
data_agm003604530
_cell_length_a 7.35822
_cell_length_b 9.37658
_cell_length_c 8.71715
_cell_angle_alpha 122.44285
_cell_angle_beta 114.96433
_cell_angle_gamma 90.00000
_cell_volume 439.53785
_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 0.75324 0.04684 0.59367 1.00000
Tb2 Tb 0.15957 0.95316 0.40633 1.00000
Tb3 Tb 0.34700 0.74999 0.99997 1.00000
Tb4 Tb 0.34703 0.25001 0.00003 1.00000
Tb5 Tb 0.15950 0.45318 0.40636 1.00000
Tb6 Tb 0.75314 0.54682 0.59364 1.00000
Dy1 Dy 0.01760 1.00000 1.00000 1.00000
Dy2 Dy 0.01760 0.50000 1.00000 1.00000
Dy3 Dy 0.48929 0.36782 0.73605 1.00000
Dy4 Dy 0.75325 0.63218 0.26395 1.00000
Dy5 Dy 0.75325 0.13215 0.26395 1.00000
Dy6 Dy 0.48929 0.86785 0.73605 1.00000
Rh1 Rh 0.75316 0.24999 0.99998 1.00000
Rh2 Rh 0.75318 0.75001 0.00002 1.00000
Rh3 Rh 0.42011 0.16676 0.33347 1.00000
Rh4 Rh 0.08664 0.83324 0.66653 1.00000
Rh5 Rh 0.08664 0.33326 0.66653 1.00000
Rh6 Rh 0.42011 0.66674 0.33347 1.00000
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