Ca5RhPb3
Alexandria ALEXAlex-ID: agm072344009 · 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_1096_spg8
Ca3(RhPb)2 Ca2Pb CaPb
2024-09-23 20:38:19.306094
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072344009).
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 agm072344009
data_agm072344009
_cell_length_a 5.35550
_cell_length_b 6.61993
_cell_length_c 8.35758
_cell_angle_alpha 105.51405
_cell_angle_beta 108.50876
_cell_angle_gamma 89.90190
_cell_volume 269.61337
_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
Ca1 Ca 0.81098 0.56004 0.84163 1.00000
Ca2 Ca 0.39315 0.93613 0.00755 1.00000
Ca3 Ca 0.98436 0.28328 0.19086 1.00000
Ca4 Ca 0.60839 0.75653 0.43516 1.00000
Ca5 Ca 0.20774 0.13241 0.64056 1.00000
Rh1 Rh 0.78981 0.01499 0.80955 1.00000
Pb1 Pb 0.40764 0.44320 0.03502 1.00000
Pb2 Pb 0.60056 0.24147 0.42611 1.00000
Pb3 Pb 0.19838 0.63107 0.61432 1.00000
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