RbPbO2
Alexandria ALEXAlex-ID: agm005681895 · 空间群: P2/c (#13)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_7767_spg13
Rb2PbO3 PbO
2023-07-13 05:59:39.694970
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005681895).
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 agm005681895
data_agm005681895
_cell_length_a 5.97952
_cell_length_b 5.83240
_cell_length_c 10.33320
_cell_angle_alpha 90.00000
_cell_angle_beta 85.30232
_cell_angle_gamma 90.00000
_cell_volume 359.15872
_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 0.00009 0.27147 0.62416 1.00000
Rb2 Rb 0.99991 0.72853 0.37584 1.00000
Rb3 Rb 0.49991 0.27147 0.87584 1.00000
Rb4 Rb 0.50009 0.72853 0.12416 1.00000
Pb1 Pb 0.54814 0.19540 0.37659 1.00000
Pb2 Pb 0.45186 0.80460 0.62341 1.00000
Pb3 Pb 0.95186 0.19540 0.12341 1.00000
Pb4 Pb 0.04814 0.80460 0.87659 1.00000
O1 O 0.00607 0.82143 0.09858 1.00000
O2 O 0.99393 0.17857 0.90142 1.00000
O3 O 0.49393 0.82143 0.40142 1.00000
O4 O 0.50607 0.17857 0.59858 1.00000
O5 O 0.41494 0.76855 0.84763 1.00000
O6 O 0.58506 0.23145 0.15237 1.00000
O7 O 0.08506 0.76855 0.65237 1.00000
O8 O 0.91494 0.23145 0.34763 1.00000
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