H6RhPb
Alexandria ALEXAlex-ID: agm076044232 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_737_spg12
H2RhPb H8Rh3 H6Pb
2025-05-29 05:53:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076044232).
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 agm076044232
data_agm076044232
_cell_length_a 4.72171
_cell_length_b 5.02917
_cell_length_c 5.36168
_cell_angle_alpha 99.21349
_cell_angle_beta 123.91498
_cell_angle_gamma 108.55012
_cell_volume 90.47703
_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 0.27459 0.19164 0.31199 1.00000
H2 H 0.79120 0.25601 0.94652 1.00000
H3 H 0.37440 0.30952 0.00411 1.00000
H4 H 0.71344 0.20679 0.74564 1.00000
H5 H 0.55332 0.69070 0.67523 1.00000
H6 H 0.11910 0.76050 0.91069 1.00000
Rh1 Rh 0.97528 0.01747 0.90845 1.00000
Pb1 Pb 0.69866 0.81737 0.24736 1.00000
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