Rb3(CaPb)2
Alexandria ALEXAlex-ID: agm009590502 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_26_spg8
Ca2Pb Rb RbPb
2024-03-23 13:48:15.830153
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009590502).
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 agm009590502
data_agm009590502
_cell_length_a 5.89146
_cell_length_b 5.89146
_cell_length_c 14.85492
_cell_angle_alpha 90.77443
_cell_angle_beta 90.77443
_cell_angle_gamma 49.44977
_cell_volume 391.73074
_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 0.29034 0.29034 0.74309 1.00000
Rb2 Rb 0.00000 0.00000 0.50000 1.00000
Rb3 Rb 0.70966 0.70966 0.25691 1.00000
Ca1 Ca 0.63955 0.63955 0.94317 1.00000
Ca2 Ca 0.36045 0.36045 0.05683 1.00000
Pb1 Pb 0.05710 0.05710 0.10020 1.00000
Pb2 Pb 0.94290 0.94290 0.89980 1.00000
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