Sm(Y2Ni)4
Alexandria ALEXAlex-ID: agm097697683 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1181_spg6
Y3Ni2 Y3Ni Sm
2025-06-17 11:43:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097697683).
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 agm097697683
data_agm097697683
_cell_length_a 3.59027
_cell_length_b 9.90766
_cell_length_c 10.36257
_cell_angle_alpha 65.37925
_cell_angle_beta 90.00080
_cell_angle_gamma 90.00249
_cell_volume 335.09620
_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 0.53841 0.91542 0.07840 1.00000
Y1 Y 0.53849 0.27567 0.36679 1.00000
Y2 Y 0.53841 0.59745 0.01741 1.00000
Y3 Y 0.53846 0.50502 0.65283 1.00000
Y4 Y 0.53860 0.13833 0.74235 1.00000
Y5 Y 0.03832 0.96129 0.35206 1.00000
Y6 Y 0.03844 0.61197 0.32129 1.00000
Y7 Y 0.03855 0.28161 0.98853 1.00000
Y8 Y 0.53838 0.83668 0.67516 1.00000
Ni1 Ni 0.03844 0.86281 0.88178 1.00000
Ni2 Ni 0.03835 0.59415 0.81468 1.00000
Ni3 Ni 0.03862 0.34567 0.54952 1.00000
Ni4 Ni 0.03851 0.07392 0.55920 1.00000
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