Rb2Na3O2
Alexandria ALEXAlex-ID: agm003309331 · 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_432_spg12
Rb9O2 Rb3O Na2O
2022-02-03 19:55:02.586047
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003309331).
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 agm003309331
data_agm003309331
_cell_length_a 3.47582
_cell_length_b 6.17667
_cell_length_c 8.84977
_cell_angle_alpha 99.34208
_cell_angle_beta 90.00000
_cell_angle_gamma 106.34180
_cell_volume 179.69250
_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 0.80880 0.61760 0.17363 1.00000
Rb2 Rb 0.19120 0.38240 0.82637 1.00000
Na1 Na 0.50000 0.00000 0.00000 1.00000
Na2 Na 0.59949 0.19898 0.32089 1.00000
Na3 Na 0.40051 0.80102 0.67911 1.00000
O1 O 0.87747 0.75495 0.84775 1.00000
O2 O 0.12253 0.24505 0.15225 1.00000
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