Pr2Th2Pd5
Alexandria ALEXAlex-ID: agm011906975 · 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_395_spg12
Th3Pd4 Th3Pd5 PrPd
2024-06-01 05:31:58.811910
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011906975).
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 agm011906975
data_agm011906975
_cell_length_a 8.83027
_cell_length_b 8.83027
_cell_length_c 8.41437
_cell_angle_alpha 53.29664
_cell_angle_beta 53.29664
_cell_angle_gamma 27.29001
_cell_volume 237.19579
_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
Pr1 Pr 0.44909 0.44909 0.30717 1.00000
Pr2 Pr 0.55091 0.55091 0.69283 1.00000
Th1 Th 0.72118 0.72118 0.83701 1.00000
Th2 Th 0.27882 0.27882 0.16299 1.00000
Pd1 Pd 0.19374 0.19374 0.63766 1.00000
Pd2 Pd 0.80626 0.80626 0.36234 1.00000
Pd3 Pd 0.63996 0.63996 0.25601 1.00000
Pd4 Pd 0.36004 0.36004 0.74399 1.00000
Pd5 Pd 0.00000 0.00000 0.00000 1.00000
