Y8Tl2Rh
Alexandria ALEXAlex-ID: agm003528086 · 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
AB2C8_259_spg8
Y4TlRh Y5Tl3 Y
2022-03-18 14:50:32.146938
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003528086).
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 agm003528086
data_agm003528086
_cell_length_a 5.23541
_cell_length_b 6.76866
_cell_length_c 9.86269
_cell_angle_alpha 110.29169
_cell_angle_beta 105.39160
_cell_angle_gamma 90.00000
_cell_volume 314.41211
_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
Y1 Y 0.41009 0.56059 0.82018 1.00000
Y2 Y 0.64893 0.98692 0.29787 1.00000
Y3 Y 0.79126 0.67614 0.58252 1.00000
Y4 Y 0.98119 0.21048 0.96238 1.00000
Y5 Y 0.20874 0.32386 0.41748 1.00000
Y6 Y 0.35107 0.01308 0.70213 1.00000
Y7 Y 0.58991 0.43941 0.17982 1.00000
Y8 Y 0.01881 0.78952 0.03762 1.00000
Tl1 Tl 0.82533 0.26273 0.65066 1.00000
Tl2 Tl 0.17467 0.73727 0.34934 1.00000
Rh1 Rh 0.50000 0.00000 0.00000 1.00000
获取直接链接