Th8Cu4Pt
Alexandria ALEXAlex-ID: agm097745873 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1225_spg6
Th7Pt3 ThCu2 Th
2025-06-14 01:22:21
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097745873).
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 agm097745873
data_agm097745873
_cell_length_a 4.46162
_cell_length_b 9.00276
_cell_length_c 8.81925
_cell_angle_alpha 72.96797
_cell_angle_beta 89.99556
_cell_angle_gamma 90.00101
_cell_volume 338.70529
_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
Th1 Th 0.30758 0.13007 0.22747 1.00000
Th2 Th 0.30769 0.54804 0.08361 1.00000
Th3 Th 0.30764 0.80770 0.59099 1.00000
Th4 Th 0.30763 0.16057 0.72951 1.00000
Th5 Th 0.80772 0.78605 0.28615 1.00000
Th6 Th 0.80774 0.36494 0.40314 1.00000
Th7 Th 0.80789 0.48268 0.73964 1.00000
Th8 Th 0.80768 0.82842 0.85230 1.00000
Cu1 Cu 0.80760 0.09682 0.98276 1.00000
Cu2 Cu 0.80775 0.33279 0.07280 1.00000
Cu3 Cu 0.30794 0.53421 0.48346 1.00000
Cu4 Cu 0.80743 0.03331 0.50088 1.00000
Pt1 Pt 0.30771 0.89440 0.04727 1.00000
获取直接链接