H5(RhS)2
Alexandria ALEXAlex-ID: agm007016029 · 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
A2B2C5_721_spg65
H3S Rh3S4 H8Rh3
2024-03-05 13:19:16.579327
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007016029).
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}
}
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# CIF generated by HEAS from Alexandria entry agm007016029
data_agm007016029
_cell_length_a 3.05816
_cell_length_b 3.47860
_cell_length_c 9.47989
_cell_angle_alpha 86.42561
_cell_angle_beta 98.09713
_cell_angle_gamma 90.03882
_cell_volume 99.64513
_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 0.44115 0.53048 0.85830 1.00000
H2 H 0.55886 0.46954 0.14168 1.00000
H3 H 0.16401 0.26997 0.37946 1.00000
H4 H 0.83600 0.72998 0.62055 1.00000
H5 H 0.00001 0.00002 1.00000 1.00000
Rh1 Rh 0.56194 0.96969 0.14578 1.00000
Rh2 Rh 0.43805 0.03032 0.85422 1.00000
S1 S 0.13954 0.91537 0.32252 1.00000
S2 S 0.86045 0.08463 0.67748 1.00000
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