Rb3PdO5
Alexandria ALEXAlex-ID: agm072362971 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1176_spg191
Rb2O3 Rb4(PdO2)3 RbO4
2024-09-25 22:52:43.279727
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072362971).
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 agm072362971
data_agm072362971
_cell_length_a 3.84071
_cell_length_b 7.92652
_cell_length_c 8.19818
_cell_angle_alpha 118.92379
_cell_angle_beta 98.87696
_cell_angle_gamma 90.01420
_cell_volume 215.02198
_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 0.47939 0.38837 0.39080 1.00000
Rb2 Rb 0.51997 0.99778 0.60948 1.00000
Rb3 Rb 0.49998 0.61688 0.00007 1.00000
Pd1 Pd 0.00087 0.00437 0.99980 1.00000
O1 O 0.50086 0.00479 0.99981 1.00000
O2 O 0.04803 0.26582 0.58715 1.00000
O3 O 0.95116 0.67864 0.41276 1.00000
O4 O 0.13170 0.65875 0.27432 1.00000
O5 O 0.86793 0.38448 0.72579 1.00000
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