RbGePt2
Alexandria ALEXAlex-ID: agm005682174 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_547_spg62
Rb(GePt)2 RbPt2
2023-07-12 06:24:52.432022
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005682174).
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 agm005682174
data_agm005682174
_cell_length_a 6.70003
_cell_length_b 7.10726
_cell_length_c 15.70797
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 747.99552
_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
Rb1 Rb 0.53389 0.25000 0.11684 1.00000
Rb2 Rb 0.03389 0.75000 0.38316 1.00000
Rb3 Rb 0.46611 0.75000 0.88316 1.00000
Rb4 Rb 0.96611 0.25000 0.61684 1.00000
Rb5 Rb 0.83915 0.25000 0.39564 1.00000
Rb6 Rb 0.33915 0.75000 0.10436 1.00000
Rb7 Rb 0.16085 0.75000 0.60436 1.00000
Rb8 Rb 0.66085 0.25000 0.89564 1.00000
Ge1 Ge 0.31093 0.25000 0.30144 1.00000
Ge2 Ge 0.81093 0.75000 0.19856 1.00000
Ge3 Ge 0.68907 0.75000 0.69856 1.00000
Ge4 Ge 0.18907 0.25000 0.80144 1.00000
Ge5 Ge 0.03786 0.25000 0.07174 1.00000
Ge6 Ge 0.53786 0.75000 0.42826 1.00000
Ge7 Ge 0.96214 0.75000 0.92826 1.00000
Ge8 Ge 0.46214 0.25000 0.57174 1.00000
Pt1 Pt 0.05221 0.05859 0.21205 1.00000
Pt2 Pt 0.55221 0.94141 0.28795 1.00000
Pt3 Pt 0.94779 0.55859 0.78795 1.00000
Pt4 Pt 0.44779 0.44141 0.71205 1.00000
Pt5 Pt 0.94779 0.94141 0.78795 1.00000
Pt6 Pt 0.44779 0.05859 0.71205 1.00000
Pt7 Pt 0.05221 0.44141 0.21205 1.00000
Pt8 Pt 0.55221 0.55859 0.28795 1.00000
Pt9 Pt 0.87058 0.56297 0.06286 1.00000
Pt10 Pt 0.37058 0.43703 0.43714 1.00000
Pt11 Pt 0.12942 0.06297 0.93714 1.00000
Pt12 Pt 0.62942 0.93703 0.56286 1.00000
Pt13 Pt 0.12942 0.43703 0.93714 1.00000
Pt14 Pt 0.62942 0.56297 0.56286 1.00000
Pt15 Pt 0.87058 0.93703 0.06286 1.00000
Pt16 Pt 0.37058 0.06297 0.43714 1.00000
