Rb2H7N
Alexandria ALEXAlex-ID: agm006201751 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_1375_spg1
H9N H3N RbH
2024-02-07 01:47:57
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201751).
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 agm006201751
data_agm006201751
_cell_length_a 10.92469
_cell_length_b 11.81218
_cell_length_c 11.51720
_cell_angle_alpha 159.44917
_cell_angle_beta 21.19018
_cell_angle_gamma 150.30664
_cell_volume 188.47342
_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 0.71322 0.42568 0.33114 1.00000
H2 H 0.00164 0.28361 0.03253 1.00000
H3 H 0.98721 0.14582 0.77823 1.00000
H4 H 0.23165 0.32238 0.00382 1.00000
H5 H 0.95818 0.74118 0.95862 1.00000
H6 H 0.19256 0.37874 0.62519 1.00000
H7 H 0.13715 0.48888 0.73004 1.00000
Rb1 Rb 0.46442 0.23520 0.95378 1.00000
Rb2 Rb 0.70907 0.81808 0.00649 1.00000
N1 N 0.83729 0.21782 0.04832 1.00000
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