Ta3(Pd2Pt)2
Alexandria ALEXAlex-ID: agm005685970 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_422_spg15
TaPdPt TaPd2
2023-06-27 21:46:37.532503
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685970).
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 agm005685970
data_agm005685970
_cell_length_a 4.83599
_cell_length_b 8.00177
_cell_length_c 8.00310
_cell_angle_alpha 73.36817
_cell_angle_beta 81.97175
_cell_angle_gamma 81.98532
_cell_volume 292.20831
_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
Ta1 Ta 0.08323 0.95880 0.70608 1.00000
Ta2 Ta 0.41676 0.29392 0.04121 1.00000
Ta3 Ta 0.91677 0.04120 0.29392 1.00000
Ta4 Ta 0.58324 0.70608 0.95879 1.00000
Ta5 Ta 0.25000 0.37771 0.62229 1.00000
Ta6 Ta 0.75000 0.62229 0.37771 1.00000
Pd1 Pd 0.52691 0.06622 0.82035 1.00000
Pd2 Pd 0.97308 0.17966 0.93378 1.00000
Pd3 Pd 0.47309 0.93378 0.17965 1.00000
Pd4 Pd 0.02692 0.82034 0.06622 1.00000
Pd5 Pd 0.62999 0.84403 0.59889 1.00000
Pd6 Pd 0.86999 0.40111 0.15598 1.00000
Pd7 Pd 0.37001 0.15597 0.40111 1.00000
Pd8 Pd 0.13001 0.59889 0.84402 1.00000
Pt1 Pt 0.18780 0.74268 0.48228 1.00000
Pt2 Pt 0.31219 0.51773 0.25732 1.00000
Pt3 Pt 0.81220 0.25732 0.51772 1.00000
Pt4 Pt 0.68781 0.48227 0.74268 1.00000
获取直接链接