SrHRh
Alexandria ALEXAlex-ID: agm005666887 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_7762_spg36
Sr2H2Rh Sr2H4Rh SrRh2
2023-06-17 16:19:23.399420
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666887).
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 agm005666887
data_agm005666887
_cell_length_a 4.35923
_cell_length_b 4.57489
_cell_length_c 6.13364
_cell_angle_alpha 111.89855
_cell_angle_beta 89.99995
_cell_angle_gamma 89.99998
_cell_volume 113.49707
_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 0.31172 0.79169 0.34471 1.00000
Sr2 Sr 0.81172 0.06693 0.89505 1.00000
H1 H 0.55419 0.25918 0.27982 1.00000
H2 H 0.05419 0.59944 0.95994 1.00000
Rh1 Rh 0.80320 0.37012 0.50178 1.00000
Rh2 Rh 0.30319 0.48850 0.73798 1.00000
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