Sm2Ge5Os3
Alexandria ALEXAlex-ID: agm045762612 · 空间群: P4/mnc (#128)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C5_23_spg128
Sm2Ge5Os3
2024-12-05 05:59:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045762612).
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 agm045762612
data_agm045762612
_cell_length_a 11.09432
_cell_length_b 11.09432
_cell_length_c 5.88771
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 724.68238
_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 0.93276 0.76557 0.50000 1.00000
Sm2 Sm 0.06724 0.23443 0.50000 1.00000
Sm3 Sm 0.56724 0.26557 0.00000 1.00000
Sm4 Sm 0.43276 0.73443 0.00000 1.00000
Sm5 Sm 0.76557 0.06724 0.50000 1.00000
Sm6 Sm 0.23443 0.93276 0.50000 1.00000
Sm7 Sm 0.26557 0.43276 0.00000 1.00000
Sm8 Sm 0.73443 0.56724 0.00000 1.00000
Ge1 Ge 0.46597 0.81923 0.50000 1.00000
Ge2 Ge 0.53403 0.18077 0.50000 1.00000
Ge3 Ge 0.03403 0.31923 0.00000 1.00000
Ge4 Ge 0.96597 0.68077 0.00000 1.00000
Ge5 Ge 0.81923 0.53403 0.50000 1.00000
Ge6 Ge 0.18077 0.46597 0.50000 1.00000
Ge7 Ge 0.31923 0.96597 0.00000 1.00000
Ge8 Ge 0.68077 0.03403 0.00000 1.00000
Ge9 Ge 0.17423 0.67423 0.25000 1.00000
Ge10 Ge 0.82577 0.32577 0.25000 1.00000
Ge11 Ge 0.32577 0.17423 0.75000 1.00000
Ge12 Ge 0.67423 0.82577 0.75000 1.00000
Ge13 Ge 0.67423 0.82577 0.25000 1.00000
Ge14 Ge 0.32577 0.17423 0.25000 1.00000
Ge15 Ge 0.17423 0.67423 0.75000 1.00000
Ge16 Ge 0.82577 0.32577 0.75000 1.00000
Ge17 Ge 0.50000 0.50000 0.25160 1.00000
Ge18 Ge 0.00000 0.00000 0.75160 1.00000
Ge19 Ge 0.50000 0.50000 0.74840 1.00000
Ge20 Ge 0.00000 0.00000 0.24840 1.00000
Os1 Os 0.00000 0.50000 0.25000 1.00000
Os2 Os 0.50000 0.00000 0.75000 1.00000
Os3 Os 0.50000 0.00000 0.25000 1.00000
Os4 Os 0.00000 0.50000 0.75000 1.00000
Os5 Os 0.62294 0.64534 0.50000 1.00000
Os6 Os 0.37706 0.35466 0.50000 1.00000
Os7 Os 0.87706 0.14534 0.00000 1.00000
Os8 Os 0.12294 0.85466 0.00000 1.00000
Os9 Os 0.64534 0.37706 0.50000 1.00000
Os10 Os 0.35466 0.62294 0.50000 1.00000
Os11 Os 0.14534 0.12294 0.00000 1.00000
Os12 Os 0.85466 0.87706 0.00000 1.00000
