Pt5RhSe12
Alexandria ALEXAlex-ID: agm067375445 · 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
AB5C12_2_spg12
RhSe2 PtSe2
2024-12-09 15:42:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm067375445).
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 agm067375445
data_agm067375445
_cell_length_a 6.53876
_cell_length_b 6.53876
_cell_length_c 11.06201
_cell_angle_alpha 89.69290
_cell_angle_beta 90.30710
_cell_angle_gamma 59.82548
_cell_volume 408.84943
_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
Pt1 Pt 0.50000 0.50000 0.00000 1.00000
Pt2 Pt 0.16668 0.16668 0.00000 1.00000
Pt3 Pt 0.83332 0.83332 0.00000 1.00000
Pt4 Pt 0.66661 0.66661 0.50000 1.00000
Pt5 Pt 0.33339 0.33339 0.50000 1.00000
Rh1 Rh 0.00000 0.00000 0.50000 1.00000
Se1 Se 0.16928 0.83072 0.11758 1.00000
Se2 Se 0.83072 0.16928 0.88242 1.00000
Se3 Se 0.33265 0.66735 0.61586 1.00000
Se4 Se 0.66735 0.33265 0.38414 1.00000
Se5 Se 0.00172 0.32876 0.61552 1.00000
Se6 Se 0.32876 0.00172 0.38448 1.00000
Se7 Se 0.67124 0.99828 0.61552 1.00000
Se8 Se 0.99828 0.67124 0.38448 1.00000
Se9 Se 0.16438 0.50244 0.88228 1.00000
Se10 Se 0.49756 0.83562 0.88228 1.00000
Se11 Se 0.50244 0.16438 0.11772 1.00000
Se12 Se 0.83562 0.49756 0.11772 1.00000
获取直接链接