NdNi3Sb2
Alexandria ALEXAlex-ID: agm005872997 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2319_spg12
Ni3Sb Nd8Ni17Sb14 Ni
2023-08-23 10:33:27.011154
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005872997).
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 agm005872997
data_agm005872997
_cell_length_a 4.18319
_cell_length_b 8.39754
_cell_length_c 10.00105
_cell_angle_alpha 104.32455
_cell_angle_beta 90.00000
_cell_angle_gamma 104.42261
_cell_volume 328.95968
_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
Nd1 Nd 0.15896 0.31791 0.70513 1.00000
Nd2 Nd 0.84104 0.68209 0.29487 1.00000
Nd3 Nd 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.04740 0.09480 0.37512 1.00000
Ni2 Ni 0.95260 0.90520 0.62488 1.00000
Ni3 Ni 0.20330 0.40659 0.35750 1.00000
Ni4 Ni 0.79670 0.59341 0.64250 1.00000
Ni5 Ni 0.63163 0.26326 0.19714 1.00000
Ni6 Ni 0.36837 0.73674 0.80286 1.00000
Ni7 Ni 0.50000 0.00000 0.50000 1.00000
Ni8 Ni 0.34430 0.68861 0.04275 1.00000
Ni9 Ni 0.65570 0.31139 0.95725 1.00000
Sb1 Sb 0.20157 0.40314 0.10446 1.00000
Sb2 Sb 0.79843 0.59686 0.89554 1.00000
Sb3 Sb 0.47879 0.95758 0.23285 1.00000
Sb4 Sb 0.52121 0.04242 0.76715 1.00000
Sb5 Sb 0.34551 0.69102 0.53987 1.00000
Sb6 Sb 0.65449 0.30898 0.46013 1.00000
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