Tb2ZnPd3
Alexandria ALEXAlex-ID: agm005684667 · 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_662_spg62
TbZnPd2 Tb3Pd4 TbZnPd
2023-08-25 12:15:55.042507
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684667).
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 agm005684667
data_agm005684667
_cell_length_a 3.85183
_cell_length_b 7.17575
_cell_length_c 17.24094
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 476.53559
_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 0.25000 0.65967 0.57013 1.00000
Tb2 Tb 0.75000 0.84033 0.07013 1.00000
Tb3 Tb 0.25000 0.15967 0.92987 1.00000
Tb4 Tb 0.75000 0.34033 0.42987 1.00000
Tb5 Tb 0.25000 0.60779 0.79074 1.00000
Tb6 Tb 0.75000 0.89221 0.29074 1.00000
Tb7 Tb 0.25000 0.10779 0.70926 1.00000
Tb8 Tb 0.75000 0.39221 0.20926 1.00000
Zn1 Zn 0.25000 0.98824 0.44005 1.00000
Zn2 Zn 0.75000 0.51176 0.94005 1.00000
Zn3 Zn 0.25000 0.48824 0.05995 1.00000
Zn4 Zn 0.75000 0.01176 0.55995 1.00000
Pd1 Pd 0.25000 0.75365 0.94790 1.00000
Pd2 Pd 0.75000 0.74635 0.44790 1.00000
Pd3 Pd 0.25000 0.25365 0.55210 1.00000
Pd4 Pd 0.75000 0.24635 0.05210 1.00000
Pd5 Pd 0.25000 0.08806 0.15518 1.00000
Pd6 Pd 0.75000 0.41194 0.65518 1.00000
Pd7 Pd 0.25000 0.58806 0.34482 1.00000
Pd8 Pd 0.75000 0.91194 0.84482 1.00000
Pd9 Pd 0.25000 0.69828 0.18609 1.00000
Pd10 Pd 0.75000 0.80172 0.68609 1.00000
Pd11 Pd 0.25000 0.19828 0.31391 1.00000
Pd12 Pd 0.75000 0.30172 0.81391 1.00000
