Sb2H5Rh2
Alexandria ALEXAlex-ID: agm006436330 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_1707_spg74
H2 SbRh
2024-02-28 03:31:03.818105
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006436330).
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 agm006436330
data_agm006436330
_cell_length_a 8.95183
_cell_length_b 8.95183
_cell_length_c 8.95183
_cell_angle_alpha 157.02485
_cell_angle_beta 109.80603
_cell_angle_gamma 74.95894
_cell_volume 260.74301
_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
Sb1 Sb 0.42775 0.89431 0.60815 1.00000
Sb2 Sb 0.57225 0.18039 0.46656 1.00000
Sb3 Sb 0.21384 0.18039 0.10815 1.00000
Sb4 Sb 0.78616 0.89431 0.96656 1.00000
H1 H 0.99025 0.43901 0.62588 1.00000
H2 H 0.00975 0.63563 0.44876 1.00000
H3 H 0.68687 0.63563 0.12588 1.00000
H4 H 0.31313 0.43901 0.94876 1.00000
H5 H 0.69716 0.56424 0.20757 1.00000
H6 H 0.30284 0.51041 0.86707 1.00000
H7 H 0.14334 0.51041 0.70757 1.00000
H8 H 0.85666 0.56424 0.36707 1.00000
H9 H 0.45242 0.73974 0.78732 1.00000
H10 H 0.54758 0.33490 0.28732 1.00000
Rh1 Rh 0.50000 0.53736 0.03736 1.00000
Rh2 Rh 0.00000 0.53736 0.53736 1.00000
Rh3 Rh 0.66289 0.45022 0.28733 1.00000
Rh4 Rh 0.33711 0.62444 0.78733 1.00000
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