Dy12TlRh7
Alexandria ALEXAlex-ID: agm013214765 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB7C12_8_spg140
Dy5Rh3 Dy2TlRh
2024-12-11 23:48:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013214765).
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 agm013214765
data_agm013214765
_cell_length_a 10.81793
_cell_length_b 10.81793
_cell_length_c 10.81793
_cell_angle_alpha 115.89669
_cell_angle_beta 115.89669
_cell_angle_gamma 97.26740
_cell_volume 942.49735
_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 0.78248 0.06382 0.13546 1.00000
Dy2 Dy 0.07164 0.35298 0.13546 1.00000
Dy3 Dy 0.21752 0.93618 0.86454 1.00000
Dy4 Dy 0.28248 0.14702 0.71866 1.00000
Dy5 Dy 0.93618 0.07164 0.71866 1.00000
Dy6 Dy 0.35298 0.21752 0.28134 1.00000
Dy7 Dy 0.57164 0.43618 0.71866 1.00000
Dy8 Dy 0.85298 0.57164 0.13546 1.00000
Dy9 Dy 0.43618 0.71752 0.86454 1.00000
Dy10 Dy 0.92836 0.64702 0.86454 1.00000
Dy11 Dy 0.67467 0.17467 0.84935 1.00000
Dy12 Dy 0.71752 0.85298 0.28134 1.00000
Dy13 Dy 0.06382 0.92836 0.28134 1.00000
Dy14 Dy 0.64702 0.78248 0.71866 1.00000
Dy15 Dy 0.36523 0.86523 0.50000 1.00000
Dy16 Dy 0.86523 0.36523 0.50000 1.00000
Dy17 Dy 0.13477 0.63477 0.50000 1.00000
Dy18 Dy 0.63477 0.13477 0.50000 1.00000
Dy19 Dy 0.82533 0.67467 0.50000 1.00000
Dy20 Dy 0.14702 0.42836 0.86454 1.00000
Dy21 Dy 0.17467 0.32533 0.50000 1.00000
Dy22 Dy 0.32533 0.82533 0.15065 1.00000
Dy23 Dy 0.42836 0.56382 0.28134 1.00000
Dy24 Dy 0.56382 0.28248 0.13546 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Tl2 Tl 0.50000 0.50000 0.00000 1.00000
Rh1 Rh 0.98132 0.13514 0.50000 1.00000
Rh2 Rh 0.01868 0.86486 0.50000 1.00000
Rh3 Rh 0.36486 0.51868 0.50000 1.00000
Rh4 Rh 0.13514 0.63514 0.15381 1.00000
Rh5 Rh 0.51868 0.01868 0.15381 1.00000
Rh6 Rh 0.86486 0.36486 0.84619 1.00000
Rh7 Rh 0.12543 0.62543 0.75087 1.00000
Rh8 Rh 0.37457 0.12543 0.50000 1.00000
Rh9 Rh 0.62543 0.87457 0.50000 1.00000
Rh10 Rh 0.87457 0.37457 0.24913 1.00000
Rh11 Rh 0.25000 0.25000 0.00000 1.00000
Rh12 Rh 0.75000 0.75000 0.00000 1.00000
Rh13 Rh 0.63514 0.48132 0.50000 1.00000
Rh14 Rh 0.48132 0.98132 0.84619 1.00000
