Nd3Sb4Rh7
Alexandria ALEXAlex-ID: agm005704875 · 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
A3B4C7_8_spg12
Nd10Sb19Rh28 NdRh2 Nd4Sb6Rh7
2023-06-29 17:53:22.930282
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704875).
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 agm005704875
data_agm005704875
_cell_length_a 4.28113
_cell_length_b 8.36697
_cell_length_c 8.69633
_cell_angle_alpha 71.51866
_cell_angle_beta 75.75042
_cell_angle_gamma 75.17690
_cell_volume 280.94050
_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 0.33565 0.17499 0.15371 1.00000
Nd2 Nd 0.66435 0.82501 0.84629 1.00000
Nd3 Nd 0.00000 0.50000 0.50000 1.00000
Sb1 Sb 0.66388 0.44458 0.22766 1.00000
Sb2 Sb 0.33612 0.55542 0.77234 1.00000
Sb3 Sb 0.88905 0.88758 0.33432 1.00000
Sb4 Sb 0.11095 0.11242 0.66568 1.00000
Rh1 Rh 0.30585 0.85047 0.53782 1.00000
Rh2 Rh 0.49122 0.22418 0.79337 1.00000
Rh3 Rh 0.83860 0.39521 0.92760 1.00000
Rh4 Rh 0.69415 0.14953 0.46218 1.00000
Rh5 Rh 0.16140 0.60479 0.07240 1.00000
Rh6 Rh 0.00000 0.00000 0.00000 1.00000
Rh7 Rh 0.50878 0.77582 0.20663 1.00000
获取直接链接