Rb2MnH7
Alexandria ALEXAlex-ID: agm006201696 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_484_spg166
Rb2MnH6 RbH7 Mn4H3
2023-11-21 09:58:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201696).
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 agm006201696
data_agm006201696
_cell_length_a 5.80262
_cell_length_b 5.80278
_cell_length_c 9.16858
_cell_angle_alpha 108.28366
_cell_angle_beta 71.64612
_cell_angle_gamma 120.00867
_cell_volume 249.10848
_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 0.07385 0.66507 0.10534 1.00000
H2 H 0.87241 0.04639 0.88849 1.00000
H3 H 0.28342 0.45707 0.88836 1.00000
H4 H 0.07368 0.25483 0.10521 1.00000
H5 H 0.47299 0.85452 0.49691 1.00000
H6 H 0.66392 0.25483 0.10519 1.00000
H7 H 0.87227 0.45697 0.88831 1.00000
Mn1 Mn 0.97347 0.35600 0.99656 1.00000
Rb1 Rb 0.35544 0.97415 0.84996 1.00000
Rb2 Rb 0.59096 0.73756 0.14385 1.00000
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