LiY2(PRh4)3
Alexandria ALEXAlex-ID: agm004498613 · 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
AB2C3D12_106_spg166
Li(PRh2)2 LiRh3 Y2PRh6 PRh2
2022-06-20 09:23:25.060969
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004498613).
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 agm004498613
data_agm004498613
_cell_length_a 6.64251
_cell_length_b 6.64251
_cell_length_c 6.64251
_cell_angle_alpha 82.87686
_cell_angle_beta 82.87686
_cell_angle_gamma 82.87686
_cell_volume 286.81932
_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
Li1 Li 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.62766 0.62766 0.62766 1.00000
Y2 Y 0.37234 0.37234 0.37234 1.00000
P1 P 0.50000 0.00000 0.00000 1.00000
P2 P 0.00000 0.50000 0.00000 1.00000
P3 P 0.00000 0.00000 0.50000 1.00000
Rh1 Rh 0.36856 0.36856 0.90786 1.00000
Rh2 Rh 0.82706 0.82706 0.32515 1.00000
Rh3 Rh 0.32515 0.82706 0.82706 1.00000
Rh4 Rh 0.90786 0.36856 0.36856 1.00000
Rh5 Rh 0.82706 0.32515 0.82706 1.00000
Rh6 Rh 0.36856 0.90786 0.36856 1.00000
Rh7 Rh 0.63144 0.63144 0.09214 1.00000
Rh8 Rh 0.17294 0.17294 0.67485 1.00000
Rh9 Rh 0.67485 0.17294 0.17294 1.00000
Rh10 Rh 0.09214 0.63144 0.63144 1.00000
Rh11 Rh 0.17294 0.67485 0.17294 1.00000
Rh12 Rh 0.63144 0.09214 0.63144 1.00000
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