RbInH4
Alexandria ALEXAlex-ID: agm002216005 · 空间群: P4_2/nmc (#137)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_0_spg137
RbInH2 RbH7 In
2018-07-19 06:05:19
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002216005).
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 agm002216005
data_agm002216005
_cell_length_a 5.48511
_cell_length_b 5.48517
_cell_length_c 7.52113
_cell_angle_alpha 90.00153
_cell_angle_beta 90.00192
_cell_angle_gamma 89.99963
_cell_volume 226.28641
_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 0.75001 0.98612 0.11284 1.00000
H2 H 0.75001 0.51385 0.11285 1.00000
H3 H 0.48615 0.24999 0.38716 1.00000
H4 H 0.01388 0.24999 0.38717 1.00000
H5 H 0.98612 0.75000 0.61284 1.00000
H6 H 0.51385 0.75000 0.61285 1.00000
H7 H 0.24999 0.48615 0.88715 1.00000
H8 H 0.24999 0.01387 0.88716 1.00000
Rb1 Rb 0.25001 0.74999 0.25000 1.00000
Rb2 Rb 0.74999 0.25001 0.75000 1.00000
In1 In 0.75001 0.24999 0.25001 1.00000
In2 In 0.24998 0.75001 0.75000 1.00000
获取直接链接