SmY3Ho8
Alexandria ALEXAlex-ID: agm014444481 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_96_spg8
SmHo8 Y5Ho SmHo5
2025-03-02 05:28:43
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014444481).
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 agm014444481
data_agm014444481
_cell_length_a 8.43154
_cell_length_b 8.43154
_cell_length_c 8.43154
_cell_angle_alpha 136.30619
_cell_angle_beta 99.68894
_cell_angle_gamma 96.23802
_cell_volume 384.10339
_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 0.33638 0.83638 1.00000
Y1 Y 0.24949 0.74904 0.49955 1.00000
Y2 Y 0.75051 0.25005 0.49955 1.00000
Y3 Y 0.00000 0.83550 0.83550 1.00000
Ho1 Ho 0.66820 0.83222 0.50042 1.00000
Ho2 Ho 0.16759 0.33213 0.49972 1.00000
Ho3 Ho 0.33180 0.83222 0.16401 1.00000
Ho4 Ho 0.83241 0.33213 0.16454 1.00000
Ho5 Ho 0.91783 0.75206 0.16908 1.00000
Ho6 Ho 0.58298 0.75206 0.83423 1.00000
Ho7 Ho 0.08217 0.25125 0.83423 1.00000
Ho8 Ho 0.41702 0.25125 0.16908 1.00000
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