InH2RhCl8
Alexandria ALEXAlex-ID: agm007552007 · 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
ABC2D8_354_spg2
InRhCl6 HCl
2024-12-10 20:52:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007552007).
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 agm007552007
data_agm007552007
_cell_length_a 6.65838
_cell_length_b 6.77647
_cell_length_c 7.24069
_cell_angle_alpha 88.12901
_cell_angle_beta 106.05613
_cell_angle_gamma 102.02483
_cell_volume 306.96056
_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
In1 In 0.00000 0.00000 0.50000 1.00000
H1 H 0.75471 0.66249 0.19532 1.00000
H2 H 0.24529 0.33751 0.80468 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.19131 0.86650 0.82073 1.00000
Cl2 Cl 0.23234 0.31977 0.02020 1.00000
Cl3 Cl 0.77442 0.08679 0.70791 1.00000
Cl4 Cl 0.80869 0.13350 0.17927 1.00000
Cl5 Cl 0.76767 0.68023 0.97980 1.00000
Cl6 Cl 0.22558 0.91321 0.29209 1.00000
Cl7 Cl 0.25400 0.34781 0.59384 1.00000
Cl8 Cl 0.74600 0.65219 0.40616 1.00000
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