Th3Rh5Pb
Alexandria ALEXAlex-ID: agm072201832 · 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
AB3C5_964_spg38
Th2Rh5Pb Th2Rh2Pb Th3Rh5
2024-09-24 20:12:28.622668
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072201832).
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 agm072201832
data_agm072201832
_cell_length_a 4.74364
_cell_length_b 5.65635
_cell_length_c 7.70633
_cell_angle_alpha 97.54646
_cell_angle_beta 107.90248
_cell_angle_gamma 90.02756
_cell_volume 194.87461
_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
Th1 Th 0.77114 0.51669 0.09692 1.00000
Th2 Th 0.02977 0.39957 0.61391 1.00000
Th3 Th 0.43718 0.88043 0.42901 1.00000
Rh1 Rh 0.62482 0.16347 0.80407 1.00000
Rh2 Rh 0.60289 0.66267 0.75992 1.00000
Rh3 Rh 0.39585 0.38187 0.34620 1.00000
Rh4 Rh 0.04130 0.90287 0.63701 1.00000
Rh5 Rh 0.84856 0.04819 0.25124 1.00000
Pb1 Pb 0.22638 0.02079 0.00651 1.00000
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