RbCu2H7
Alexandria ALEXAlex-ID: agm006198515 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_965_spg1
RbH7 Cu
2024-02-06 19:54:25
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006198515).
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 agm006198515
data_agm006198515
_cell_length_a 6.93161
_cell_length_b 5.92528
_cell_length_c 4.93544
_cell_angle_alpha 115.64515
_cell_angle_beta 44.68322
_cell_angle_gamma 107.87214
_cell_volume 128.49911
_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 0.99189 0.91266 0.28173 1.00000
H2 H 0.57417 0.51277 0.77340 1.00000
H3 H 0.15296 0.91291 0.12127 1.00000
H4 H 0.15449 0.69551 0.53543 1.00000
H5 H 0.57381 0.58071 0.32421 1.00000
H6 H 0.57243 0.97772 0.03804 1.00000
H7 H 0.99271 0.69470 0.69573 1.00000
Rb1 Rb 0.07359 0.27345 0.88979 1.00000
Cu1 Cu 0.57290 0.76130 0.67400 1.00000
Cu2 Cu 0.57344 0.73565 0.13455 1.00000
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