Th3Ni8Pt
Alexandria ALEXAlex-ID: agm003584994 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_193_spg160
Th2Ni7 ThNi5 ThPt
2022-04-03 15:33:40.876895
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003584994).
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 agm003584994
data_agm003584994
_cell_length_a 5.07164
_cell_length_b 5.07164
_cell_length_c 8.91993
_cell_angle_alpha 73.48377
_cell_angle_beta 73.48377
_cell_angle_gamma 60.00000
_cell_volume 187.68512
_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 0.38003 0.38003 0.85992 1.00000
Th2 Th 0.98610 0.98610 0.04171 1.00000
Th3 Th 0.51020 0.51020 0.46941 1.00000
Ni1 Ni 0.94536 0.43522 0.18419 1.00000
Ni2 Ni 0.43833 0.93803 0.68562 1.00000
Ni3 Ni 0.43522 0.43522 0.18419 1.00000
Ni4 Ni 0.93803 0.93803 0.68562 1.00000
Ni5 Ni 0.18785 0.18785 0.43646 1.00000
Ni6 Ni 0.68799 0.68799 0.93603 1.00000
Ni7 Ni 0.43522 0.94536 0.18419 1.00000
Ni8 Ni 0.93803 0.43833 0.68562 1.00000
Pt1 Pt 0.86766 0.86766 0.39702 1.00000
获取直接链接