Rb3Tl7Pt2
Alexandria ALEXAlex-ID: agm024942895 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_3_spg166
RbTl2Pt RbTl4Pt Rb8Tl11
2025-05-17 09:50:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024942895).
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 agm024942895
data_agm024942895
_cell_length_a 7.16583
_cell_length_b 7.16583
_cell_length_c 10.14372
_cell_angle_alpha 69.21141
_cell_angle_beta 110.78859
_cell_angle_gamma 120.15906
_cell_volume 410.87118
_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 0.00000 0.00000 0.50000 1.00000
Rb2 Rb 0.14784 0.85216 0.94259 1.00000
Rb3 Rb 0.85216 0.14784 0.05741 1.00000
Tl1 Tl 0.50000 0.50000 0.00000 1.00000
Tl2 Tl 0.07155 0.42990 0.71027 1.00000
Tl3 Tl 0.57010 0.92845 0.71027 1.00000
Tl4 Tl 0.56916 0.43084 0.70874 1.00000
Tl5 Tl 0.92845 0.57010 0.28973 1.00000
Tl6 Tl 0.43084 0.56916 0.29126 1.00000
Tl7 Tl 0.42990 0.07155 0.28973 1.00000
Pt1 Pt 0.33240 0.66760 0.49815 1.00000
Pt2 Pt 0.66760 0.33240 0.50185 1.00000
获取直接链接