SmHo3
Alexandria ALEXAlex-ID: agm017487533 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_5434_spg55
Sm2Ho7 Sm
2025-01-25 05:53:46
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017487533).
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 agm017487533
data_agm017487533
_cell_length_a 7.12804
_cell_length_b 11.48305
_cell_length_c 12.32839
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1009.09952
_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 0.50000 0.00059 0.25098 1.00000
Sm2 Sm 0.50000 0.99941 0.74902 1.00000
Sm3 Sm 0.50000 0.49941 0.75098 1.00000
Sm4 Sm 0.50000 0.50059 0.24902 1.00000
Sm5 Sm 0.24922 0.00000 0.00000 1.00000
Sm6 Sm 0.75078 0.50000 0.50000 1.00000
Sm7 Sm 0.75078 0.00000 0.00000 1.00000
Sm8 Sm 0.24922 0.50000 0.50000 1.00000
Ho1 Ho 0.00000 0.50041 0.24860 1.00000
Ho2 Ho 0.00000 0.49959 0.75140 1.00000
Ho3 Ho 0.00000 0.99959 0.74860 1.00000
Ho4 Ho 0.00000 0.00041 0.25140 1.00000
Ho5 Ho 0.24872 0.25049 0.16679 1.00000
Ho6 Ho 0.24872 0.74951 0.83321 1.00000
Ho7 Ho 0.75128 0.24951 0.66679 1.00000
Ho8 Ho 0.75128 0.75049 0.33321 1.00000
Ho9 Ho 0.75128 0.74951 0.83321 1.00000
Ho10 Ho 0.75128 0.25049 0.16679 1.00000
Ho11 Ho 0.24872 0.75049 0.33321 1.00000
Ho12 Ho 0.24872 0.24951 0.66679 1.00000
Ho13 Ho 0.00000 0.24912 0.41643 1.00000
Ho14 Ho 0.00000 0.75088 0.58357 1.00000
Ho15 Ho 0.00000 0.25088 0.91643 1.00000
Ho16 Ho 0.00000 0.74912 0.08357 1.00000
Ho17 Ho 0.50000 0.24928 0.41737 1.00000
Ho18 Ho 0.50000 0.75072 0.58263 1.00000
Ho19 Ho 0.50000 0.25072 0.91737 1.00000
Ho20 Ho 0.50000 0.74928 0.08263 1.00000
Ho21 Ho 0.24918 0.00000 0.50000 1.00000
Ho22 Ho 0.75082 0.50000 0.00000 1.00000
Ho23 Ho 0.75082 0.00000 0.50000 1.00000
Ho24 Ho 0.24918 0.50000 0.00000 1.00000
