RbNa2H7
Alexandria ALEXAlex-ID: agm006201633 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_804_spg12
RbH7 NaH RbH
2024-02-07 05:34:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201633).
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 agm006201633
data_agm006201633
_cell_length_a 4.75175
_cell_length_b 4.71485
_cell_length_c 11.75036
_cell_angle_alpha 125.79746
_cell_angle_beta 67.85010
_cell_angle_gamma 137.91344
_cell_volume 142.32284
_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
H1 H 0.29053 0.97727 0.33052 1.00000
H2 H 0.65543 0.73412 0.66343 1.00000
H3 H 0.55849 0.47293 0.61408 1.00000
H4 H 0.32479 0.34483 0.16705 1.00000
H5 H 0.47325 0.85574 0.49674 1.00000
H6 H 0.38761 0.23855 0.37977 1.00000
H7 H 0.62214 0.36663 0.82644 1.00000
Rb1 Rb 0.97344 0.35570 0.99674 1.00000
Na1 Na 0.07205 0.59302 0.66546 1.00000
Na2 Na 0.87467 0.11862 0.32794 1.00000
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