RbCo2H7
Alexandria ALEXAlex-ID: agm006200575 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_967_spg107
CoH Rb2CoH7 H2
2023-11-02 20:33:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200575).
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}
}
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# CIF generated by HEAS from Alexandria entry agm006200575
data_agm006200575
_cell_length_a 3.00427
_cell_length_b 11.59757
_cell_length_c 4.23953
_cell_angle_alpha 109.32656
_cell_angle_beta 47.55110
_cell_angle_gamma 133.39376
_cell_volume 76.73659
_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 0.50000 0.50000 0.50000 1.00000
H2 H 0.54418 0.72055 0.22399 1.00000
H3 H 0.36992 0.26137 0.33006 1.00000
H4 H 0.63008 0.73863 0.66994 1.00000
H5 H 0.87921 0.55707 0.96842 1.00000
H6 H 0.12079 0.44293 0.03158 1.00000
H7 H 0.45582 0.27945 0.77601 1.00000
Co1 Co 0.77898 0.63895 0.76010 1.00000
Co2 Co 0.22102 0.36105 0.23990 1.00000
Rb1 Rb 0.00000 0.00000 0.00000 1.00000
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