Rb2Fe2CoH2
Alexandria ALEXAlex-ID: agm006972302 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_390_spg12
Fe2Co RbH
2024-07-02 05:33:27.638309
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006972302).
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 agm006972302
data_agm006972302
_cell_length_a 4.40481
_cell_length_b 4.40481
_cell_length_c 11.33470
_cell_angle_alpha 71.69967
_cell_angle_beta 71.69967
_cell_angle_gamma 53.19586
_cell_volume 164.87294
_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
Rb1 Rb 0.25410 0.25410 0.29099 1.00000
Rb2 Rb 0.74590 0.74590 0.70901 1.00000
Fe1 Fe 0.34568 0.34568 0.97084 1.00000
Fe2 Fe 0.65432 0.65432 0.02916 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
H1 H 0.12209 0.12209 0.09124 1.00000
H2 H 0.87791 0.87791 0.90876 1.00000
获取直接链接