Sm4NiB14
Alexandria ALEXAlex-ID: agm008244191 · 空间群: P4/mnc (#128)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C14_2_spg128
Sm(NiB)2 Sm2B5 SmB4
2024-11-14 02:08:32.627169
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008244191).
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 agm008244191
data_agm008244191
_cell_length_a 7.32341
_cell_length_b 7.32341
_cell_length_c 7.65787
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 410.70952
_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 0.19331 0.33062 0.00000 1.00000
Sm2 Sm 0.66938 0.19331 0.00000 1.00000
Sm3 Sm 0.33062 0.80669 0.00000 1.00000
Sm4 Sm 0.69331 0.16938 0.50000 1.00000
Sm5 Sm 0.30669 0.83062 0.50000 1.00000
Sm6 Sm 0.80669 0.66938 0.00000 1.00000
Sm7 Sm 0.83062 0.69331 0.50000 1.00000
Sm8 Sm 0.16938 0.30669 0.50000 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Ni2 Ni 0.50000 0.50000 0.50000 1.00000
B1 B 0.17294 0.03962 0.23381 1.00000
B2 B 0.96038 0.17294 0.23381 1.00000
B3 B 0.03962 0.82706 0.23381 1.00000
B4 B 0.67294 0.46038 0.26619 1.00000
B5 B 0.32706 0.53962 0.26619 1.00000
B6 B 0.82706 0.96038 0.23381 1.00000
B7 B 0.53962 0.67294 0.26619 1.00000
B8 B 0.46038 0.32706 0.26619 1.00000
B9 B 0.82706 0.96038 0.76619 1.00000
B10 B 0.03962 0.82706 0.76619 1.00000
B11 B 0.96038 0.17294 0.76619 1.00000
B12 B 0.32706 0.53962 0.73381 1.00000
B13 B 0.67294 0.46038 0.73381 1.00000
B14 B 0.17294 0.03962 0.76619 1.00000
B15 B 0.46038 0.32706 0.73381 1.00000
B16 B 0.53962 0.67294 0.73381 1.00000
B17 B 0.09077 0.59077 0.25000 1.00000
B18 B 0.40923 0.09077 0.25000 1.00000
B19 B 0.59077 0.90923 0.25000 1.00000
B20 B 0.90923 0.40923 0.25000 1.00000
B21 B 0.90923 0.40923 0.75000 1.00000
B22 B 0.59077 0.90923 0.75000 1.00000
B23 B 0.40923 0.09077 0.75000 1.00000
B24 B 0.09077 0.59077 0.75000 1.00000
B25 B 0.00000 0.00000 0.38836 1.00000
B26 B 0.50000 0.50000 0.11164 1.00000
B27 B 0.00000 0.00000 0.61164 1.00000
B28 B 0.50000 0.50000 0.88836 1.00000
