Rb2CeH7
Alexandria ALEXAlex-ID: agm006201826 · 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
RbH7 CeH3 RbH
2023-12-01 20:35:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201826).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm006201826
data_agm006201826
_cell_length_a 6.88557
_cell_length_b 6.88489
_cell_length_c 8.83269
_cell_angle_alpha 112.60615
_cell_angle_beta 67.24806
_cell_angle_gamma 120.01103
_cell_volume 324.67235
_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 0.09129 0.72077 0.12572 1.00000
H2 H 0.85527 0.99111 0.86781 1.00000
H3 H 0.33874 0.47413 0.86772 1.00000
H4 H 0.09122 0.23713 0.12627 1.00000
H5 H 0.47322 0.85460 0.49681 1.00000
H6 H 0.60785 0.23730 0.12600 1.00000
H7 H 0.85470 0.47416 0.86739 1.00000
Ce1 Ce 0.97333 0.35592 0.99679 1.00000
Rb1 Rb 0.34286 0.98764 0.88799 1.00000
Rb2 Rb 0.60392 0.72463 0.10567 1.00000
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