SrH8Rh3
Alexandria ALEXAlex-ID: agm006520596 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_804_spg6
Sr3(H6Rh)2 H8Rh3 Rh
2024-03-01 00:05:49.828403
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006520596).
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 agm006520596
data_agm006520596
_cell_length_a 5.56730
_cell_length_b 4.74686
_cell_length_c 5.75071
_cell_angle_alpha 69.37443
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 142.23374
_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
Sr1 Sr 0.00000 0.62817 0.48994 1.00000
H1 H 0.00000 0.21326 0.15414 1.00000
H2 H 0.33527 0.69372 0.17141 1.00000
H3 H 0.66473 0.69372 0.17141 1.00000
H4 H 0.78784 0.81640 0.81290 1.00000
H5 H 0.75264 0.23205 0.85015 1.00000
H6 H 0.24736 0.23205 0.85015 1.00000
H7 H 0.21216 0.81640 0.81290 1.00000
H8 H 0.50000 0.24905 0.17427 1.00000
Rh1 Rh 0.24642 0.46424 0.03932 1.00000
Rh2 Rh 0.75358 0.46424 0.03932 1.00000
Rh3 Rh 0.00000 0.99663 0.93340 1.00000
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