Tb2ZrRh3
Alexandria ALEXAlex-ID: agm017363948 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_557_spg8
ZrRh TbRh
2024-12-20 19:27:49
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017363948).
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
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# CIF generated by HEAS from Alexandria entry agm017363948
data_agm017363948
_cell_length_a 5.73618
_cell_length_b 5.73304
_cell_length_c 8.15722
_cell_angle_alpha 69.69957
_cell_angle_beta 84.47068
_cell_angle_gamma 74.00655
_cell_volume 241.85569
_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 0.00046 0.16938 0.15919 1.00000
Tb2 Tb 0.50037 0.66941 0.15921 1.00000
Tb3 Tb 0.49963 0.33059 0.84079 1.00000
Tb4 Tb 0.99954 0.83062 0.84081 1.00000
Zr1 Zr 0.24999 0.25006 0.49997 1.00000
Zr2 Zr 0.75001 0.74994 0.50003 1.00000
Rh1 Rh 0.24999 0.74998 0.50001 1.00000
Rh2 Rh 0.75001 0.25002 0.49999 1.00000
Rh3 Rh 0.00057 0.63637 0.22551 1.00000
Rh4 Rh 0.49938 0.86375 0.77452 1.00000
Rh5 Rh 0.50062 0.13625 0.22548 1.00000
Rh6 Rh 0.99943 0.36363 0.77449 1.00000
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