RbH7C2
Alexandria ALEXAlex-ID: agm006201241 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_1393_spg8
H4C RbH RbC8
2024-02-07 13:28:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201241).
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 agm006201241
data_agm006201241
_cell_length_a 8.21274
_cell_length_b 9.05014
_cell_length_c 4.77546
_cell_angle_alpha 122.49506
_cell_angle_beta 29.99245
_cell_angle_gamma 117.69144
_cell_volume 149.65190
_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 0.33096 0.97320 0.81319 1.00000
H2 H 0.76210 0.64530 0.94778 1.00000
H3 H 0.72681 0.75454 0.78489 1.00000
H4 H 0.09604 0.29239 0.21537 1.00000
H5 H 0.70723 0.97492 0.43822 1.00000
H6 H 0.36568 0.86423 0.97763 1.00000
H7 H 0.38554 0.64343 0.32268 1.00000
C1 C 0.49493 0.89314 0.61815 1.00000
C2 C 0.59753 0.72510 0.14389 1.00000
Rb1 Rb 0.76557 0.29113 0.20639 1.00000
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