Sm5(HoSc)2
Alexandria ALEXAlex-ID: agm005565415 · 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
A2B2C5_880_spg12
Sm2Ho7 Sm Sc
2023-06-03 09:20:36.307917
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005565415).
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 agm005565415
data_agm005565415
_cell_length_a 3.46231
_cell_length_b 11.62162
_cell_length_c 9.98507
_cell_angle_alpha 45.74674
_cell_angle_beta 80.01590
_cell_angle_gamma 81.43335
_cell_volume 283.19642
_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 0.33773 0.98248 0.34205 1.00000
Sm2 Sm 0.66227 0.01752 0.65795 1.00000
Sm3 Sm 0.21900 0.35237 0.20963 1.00000
Sm4 Sm 0.78100 0.64763 0.79037 1.00000
Sm5 Sm 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.05478 0.33768 0.55277 1.00000
Ho2 Ho 0.94522 0.66232 0.44723 1.00000
Sc1 Sc 0.40232 0.35154 0.84381 1.00000
Sc2 Sc 0.59768 0.64846 0.15619 1.00000
获取直接链接