Rb6CdPb2
Alexandria ALEXAlex-ID: agm005716638 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_102_spg166
Rb2CdPb Rb RbPb
2023-07-09 06:32:30.493828
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005716638).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005716638
data_agm005716638
_cell_length_a 6.71024
_cell_length_b 6.71024
_cell_length_c 12.38203
_cell_angle_alpha 74.27821
_cell_angle_beta 74.27821
_cell_angle_gamma 60.00004
_cell_volume 458.59259
_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
Rb1 Rb 0.57645 0.57645 0.27065 1.00000
Rb2 Rb 0.81020 0.81020 0.56940 1.00000
Rb3 Rb 0.69786 0.69786 0.90643 1.00000
Rb4 Rb 0.18980 0.18980 0.43060 1.00000
Rb5 Rb 0.42355 0.42355 0.72935 1.00000
Rb6 Rb 0.30214 0.30214 0.09357 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.91750 0.91750 0.24750 1.00000
Pb2 Pb 0.08250 0.08250 0.75250 1.00000
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