RbMnCuH6
Alexandria ALEXAlex-ID: agm007665000 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD6_14_spg149
Mn4H3 RbH7 RbCuH2 Cu
2024-07-09 19:29:00.863860
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007665000).
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 agm007665000
data_agm007665000
_cell_length_a 4.73561
_cell_length_b 4.73561
_cell_length_c 5.56187
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 121.46871
_cell_volume 106.38582
_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 0.99853 0.00147 0.50000 1.00000
Mn1 Mn 0.32921 0.67079 0.00000 1.00000
Cu1 Cu 0.66278 0.33722 0.00000 1.00000
H1 H 0.49855 0.98809 0.19517 1.00000
H2 H 0.70544 0.72207 0.00000 1.00000
H3 H 0.01191 0.50145 0.19517 1.00000
H4 H 0.49855 0.98809 0.80483 1.00000
H5 H 0.01191 0.50145 0.80483 1.00000
H6 H 0.27793 0.29456 0.00000 1.00000
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