NdSb(H3Rh)2
Alexandria ALEXAlex-ID: agm007865482 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_762_spg15
NdH6Rh SbRh
2024-03-05 18:37:07.076359
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007865482).
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
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# CIF generated by HEAS from Alexandria entry agm007865482
data_agm007865482
_cell_length_a 6.34934
_cell_length_b 6.34934
_cell_length_c 5.51200
_cell_angle_alpha 90.27067
_cell_angle_beta 90.27067
_cell_angle_gamma 82.79792
_cell_volume 220.45385
_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 0.67629 0.32371 0.75000 1.00000
Nd2 Nd 0.32371 0.67629 0.25000 1.00000
Sb1 Sb 0.08151 0.91849 0.75000 1.00000
Sb2 Sb 0.91849 0.08151 0.25000 1.00000
H1 H 0.46694 0.03784 0.65462 1.00000
H2 H 0.96216 0.53306 0.84538 1.00000
H3 H 0.53306 0.96216 0.34538 1.00000
H4 H 0.03784 0.46694 0.15462 1.00000
H5 H 0.64236 0.84840 0.90368 1.00000
H6 H 0.15160 0.35764 0.59632 1.00000
H7 H 0.35764 0.15160 0.09632 1.00000
H8 H 0.84840 0.64236 0.40368 1.00000
H9 H 0.51442 0.65939 0.61043 1.00000
H10 H 0.34061 0.48558 0.88957 1.00000
H11 H 0.48558 0.34061 0.38957 1.00000
H12 H 0.65939 0.51442 0.11043 1.00000
Rh1 Rh 0.83679 0.68771 0.09151 1.00000
Rh2 Rh 0.31229 0.16321 0.40849 1.00000
Rh3 Rh 0.16321 0.31229 0.90849 1.00000
Rh4 Rh 0.68771 0.83679 0.59151 1.00000
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