Sm3Ho8Th3
Alexandria ALEXAlex-ID: agm005693446 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C8_31_spg71
Ho2Th Sm2Ho7 Sm
2023-06-29 11:35:44.210529
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693446).
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 agm005693446
data_agm005693446
_cell_length_a 5.63913
_cell_length_b 9.63595
_cell_length_c 9.63595
_cell_angle_alpha 102.25251
_cell_angle_beta 73.00196
_cell_angle_gamma 73.00195
_cell_volume 452.77598
_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 0.50000 0.50000 1.00000
Sm2 Sm 0.80760 0.19216 0.19216 1.00000
Sm3 Sm 0.19240 0.80784 0.80784 1.00000
Ho1 Ho 0.65828 0.11758 0.56606 1.00000
Ho2 Ho 0.34172 0.88242 0.43394 1.00000
Ho3 Ho 0.65828 0.56606 0.11758 1.00000
Ho4 Ho 0.34172 0.43394 0.88242 1.00000
Ho5 Ho 0.84039 0.76316 0.55605 1.00000
Ho6 Ho 0.15961 0.23684 0.44395 1.00000
Ho7 Ho 0.84039 0.55605 0.76316 1.00000
Ho8 Ho 0.15961 0.44395 0.23684 1.00000
Th1 Th 0.50000 0.00000 0.00000 1.00000
Th2 Th 1.00000 0.81425 0.18575 1.00000
Th3 Th 0.00000 0.18575 0.81425 1.00000
获取直接链接