ThH7Rh2
Alexandria ALEXAlex-ID: agm006206348 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_771_spg2
Th(H3Rh)2 Th(H4Rh)2
2024-02-07 13:11:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006206348).
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 agm006206348
data_agm006206348
_cell_length_a 6.36303
_cell_length_b 4.89721
_cell_length_c 4.58054
_cell_angle_alpha 119.87139
_cell_angle_beta 44.04899
_cell_angle_gamma 112.01240
_cell_volume 86.02165
_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 0.25287 0.77857 0.19188 1.00000
H2 H 0.74340 0.86186 0.66077 1.00000
H3 H 0.51391 0.31700 0.69079 1.00000
H4 H 0.04949 0.16325 0.29579 1.00000
H5 H 0.28368 0.77892 0.63087 1.00000
H6 H 0.51160 0.36685 0.19182 1.00000
H7 H 0.89544 0.75124 0.93248 1.00000
Rh1 Rh 0.39712 0.03717 0.91909 1.00000
Rh2 Rh 0.58554 0.67607 0.01586 1.00000
Th1 Th 0.99933 0.32647 0.93882 1.00000
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