H3RhPb
Alexandria ALEXAlex-ID: agm006693370 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_2629_spg8
H2RhPb H8Rh3 H6Pb
2024-02-24 10:09:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006693370).
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 agm006693370
data_agm006693370
_cell_length_a 3.26848
_cell_length_b 5.05826
_cell_length_c 7.76371
_cell_angle_alpha 91.21732
_cell_angle_beta 77.89601
_cell_angle_gamma 71.22232
_cell_volume 118.27514
_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
H1 H 0.82518 0.05489 0.86322 1.00000
H2 H 0.88660 0.29771 0.49354 1.00000
H3 H 0.26277 0.93932 0.10247 1.00000
H4 H 0.54518 0.27714 0.20122 1.00000
H5 H 0.07809 0.33662 0.07287 1.00000
H6 H 0.34619 0.18966 0.68679 1.00000
Rh1 Rh 0.92696 0.06204 0.65231 1.00000
Rh2 Rh 0.05249 0.20441 0.25795 1.00000
Pb1 Pb 0.54477 0.64336 0.83796 1.00000
Pb2 Pb 0.70990 0.76708 0.37966 1.00000
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