Y8Ga21Rh11
Alexandria ALEXAlex-ID: agm009693294 · 空间群: C222 (#21)
基础信息
组成
能量与稳定性
电子结构
其他信息
A8B11C21_0_spg21
Y2Ga5Rh3 YGa2 Y2(Ga3Rh)3
2024-05-29 04:21:33.920686
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009693294).
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 agm009693294
data_agm009693294
_cell_length_a 11.25704
_cell_length_b 11.25704
_cell_length_c 5.64888
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.84533
_cell_volume 715.82860
_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 0.23596 0.42535 0.24286 1.00000
Y2 Y 0.76404 0.57465 0.24286 1.00000
Y3 Y 0.73711 0.07139 0.74682 1.00000
Y4 Y 0.26289 0.92861 0.74682 1.00000
Y5 Y 0.92861 0.26289 0.25318 1.00000
Y6 Y 0.07139 0.73711 0.25318 1.00000
Y7 Y 0.57465 0.76404 0.75714 1.00000
Y8 Y 0.42535 0.23596 0.75714 1.00000
Ga1 Ga 0.50000 0.00000 0.99030 1.00000
Ga2 Ga 0.00000 0.50000 0.49064 1.00000
Ga3 Ga 0.50000 0.00000 0.50936 1.00000
Ga4 Ga 0.00000 0.50000 0.00970 1.00000
Ga5 Ga 0.31411 0.68589 0.00000 1.00000
Ga6 Ga 0.68589 0.31411 0.00000 1.00000
Ga7 Ga 0.82451 0.82451 0.50000 1.00000
Ga8 Ga 0.17549 0.17549 0.50000 1.00000
Ga9 Ga 0.17340 0.17340 0.00000 1.00000
Ga10 Ga 0.82660 0.82660 0.00000 1.00000
Ga11 Ga 0.32130 0.67870 0.50000 1.00000
Ga12 Ga 0.67870 0.32130 0.50000 1.00000
Ga13 Ga 0.47452 0.31116 0.26481 1.00000
Ga14 Ga 0.52548 0.68884 0.26481 1.00000
Ga15 Ga 0.97125 0.18236 0.75111 1.00000
Ga16 Ga 0.02875 0.81764 0.75111 1.00000
Ga17 Ga 0.81764 0.02875 0.24889 1.00000
Ga18 Ga 0.18236 0.97125 0.24889 1.00000
Ga19 Ga 0.68884 0.52548 0.73519 1.00000
Ga20 Ga 0.31116 0.47452 0.73519 1.00000
Ga21 Ga 0.50000 0.50000 0.00000 1.00000
Rh1 Rh 0.35717 0.12314 0.24806 1.00000
Rh2 Rh 0.64283 0.87686 0.24806 1.00000
Rh3 Rh 0.86024 0.37775 0.75173 1.00000
Rh4 Rh 0.13976 0.62225 0.75173 1.00000
Rh5 Rh 0.62225 0.13976 0.24827 1.00000
Rh6 Rh 0.37775 0.86024 0.24827 1.00000
Rh7 Rh 0.87686 0.64283 0.75194 1.00000
Rh8 Rh 0.12314 0.35717 0.75194 1.00000
Rh9 Rh 0.00000 0.00000 0.50000 1.00000
Rh10 Rh 0.00000 0.00000 0.00000 1.00000
Rh11 Rh 0.50000 0.50000 0.50000 1.00000
