Tb2Th2Pd5
Alexandria ALEXAlex-ID: agm009273625 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_487_spg12
Th3Pd4 Th3Pd5 TbPd
2025-03-12 22:45:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009273625).
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 agm009273625
data_agm009273625
_cell_length_a 5.69642
_cell_length_b 5.69642
_cell_length_c 10.72808
_cell_angle_alpha 67.39276
_cell_angle_beta 112.60724
_cell_angle_gamma 139.92209
_cell_volume 204.50584
_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 0.28482 0.71518 0.86116 1.00000
Tb2 Tb 0.71518 0.28482 0.13884 1.00000
Th1 Th 0.91262 0.08738 0.62286 1.00000
Th2 Th 0.08738 0.91262 0.37714 1.00000
Pd1 Pd 0.36141 0.63859 0.38885 1.00000
Pd2 Pd 0.63859 0.36141 0.61115 1.00000
Pd3 Pd 0.44106 0.55894 0.16403 1.00000
Pd4 Pd 0.55894 0.44106 0.83597 1.00000
Pd5 Pd 0.00000 0.00000 0.00000 1.00000
