Sm4Ge5Rh9
Alexandria ALEXAlex-ID: agm008564886 · 空间群: P6_3/mmc (#194)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B5C9_1_spg194
Sm4Ge5Rh9
2024-11-01 20:09:24.992585
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008564886).
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 agm008564886
data_agm008564886
_cell_length_a 5.60985
_cell_length_b 5.60985
_cell_length_c 23.39129
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 637.51089
_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
Sm1 Sm 0.33333 0.66667 0.52882 1.00000
Sm2 Sm 0.66667 0.33333 0.47118 1.00000
Sm3 Sm 0.66667 0.33333 0.02882 1.00000
Sm4 Sm 0.33333 0.66667 0.97118 1.00000
Sm5 Sm 0.33333 0.66667 0.67410 1.00000
Sm6 Sm 0.66667 0.33333 0.32590 1.00000
Sm7 Sm 0.66667 0.33333 0.17410 1.00000
Sm8 Sm 0.33333 0.66667 0.82590 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Ge2 Ge 0.00000 0.00000 0.50000 1.00000
Ge3 Ge 0.33333 0.66667 0.16710 1.00000
Ge4 Ge 0.66667 0.33333 0.83290 1.00000
Ge5 Ge 0.66667 0.33333 0.66710 1.00000
Ge6 Ge 0.33333 0.66667 0.33290 1.00000
Ge7 Ge 0.00000 0.00000 0.16731 1.00000
Ge8 Ge 0.00000 0.00000 0.83269 1.00000
Ge9 Ge 0.00000 0.00000 0.66731 1.00000
Ge10 Ge 0.00000 0.00000 0.33269 1.00000
Rh1 Rh 0.16774 0.33547 0.08579 1.00000
Rh2 Rh 0.83226 0.66453 0.91421 1.00000
Rh3 Rh 0.66453 0.83226 0.08579 1.00000
Rh4 Rh 0.83226 0.66453 0.58579 1.00000
Rh5 Rh 0.33547 0.16774 0.91421 1.00000
Rh6 Rh 0.16774 0.33547 0.41421 1.00000
Rh7 Rh 0.16774 0.83226 0.08579 1.00000
Rh8 Rh 0.33547 0.16774 0.58579 1.00000
Rh9 Rh 0.83226 0.16774 0.91421 1.00000
Rh10 Rh 0.66453 0.83226 0.41421 1.00000
Rh11 Rh 0.83226 0.16774 0.58579 1.00000
Rh12 Rh 0.16774 0.83226 0.41421 1.00000
Rh13 Rh 0.16684 0.33367 0.25000 1.00000
Rh14 Rh 0.83316 0.66633 0.75000 1.00000
Rh15 Rh 0.66633 0.83316 0.25000 1.00000
Rh16 Rh 0.33367 0.16684 0.75000 1.00000
Rh17 Rh 0.16684 0.83316 0.25000 1.00000
Rh18 Rh 0.83316 0.16684 0.75000 1.00000
