Tm(H3Rh2)2
Alexandria ALEXAlex-ID: agm006519081 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C6_252_spg8
Tm2(H3Rh)3 H8Rh3 Rh
2024-02-28 17:40:35.605461
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006519081).
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 agm006519081
data_agm006519081
_cell_length_a 5.34067
_cell_length_b 5.34067
_cell_length_c 4.54310
_cell_angle_alpha 67.89357
_cell_angle_beta 67.89357
_cell_angle_gamma 63.77048
_cell_volume 104.19872
_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
Tm1 Tm 0.10988 0.10988 0.02663 1.00000
H1 H 0.78157 0.46170 0.32991 1.00000
H2 H 0.46170 0.78157 0.32991 1.00000
H3 H 0.17263 0.17263 0.46278 1.00000
H4 H 0.12456 0.64875 0.93765 1.00000
H5 H 0.39004 0.39004 0.48316 1.00000
H6 H 0.64875 0.12456 0.93765 1.00000
Rh1 Rh 0.03715 0.54485 0.40307 1.00000
Rh2 Rh 0.49043 0.49043 0.73682 1.00000
Rh3 Rh 0.54485 0.03715 0.40307 1.00000
Rh4 Rh 0.73896 0.73896 0.94155 1.00000
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