SrAl(H4Rh)2
Alexandria ALEXAlex-ID: agm007448307 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_4_spg155
Sr3(H6Rh)2 H2 AlRh H8Rh3
2024-03-16 01:57:41.793874
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007448307).
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 agm007448307
data_agm007448307
_cell_length_a 4.54507
_cell_length_b 4.54507
_cell_length_c 6.71680
_cell_angle_alpha 69.37619
_cell_angle_beta 69.37619
_cell_angle_gamma 58.42056
_cell_volume 108.15379
_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 0.64682 0.35318 0.00000 1.00000
Al1 Al 0.16435 0.83565 0.50000 1.00000
H1 H 0.21351 0.94483 0.80624 1.00000
H2 H 0.31128 0.32163 0.39689 1.00000
H3 H 0.05517 0.78649 0.19376 1.00000
H4 H 0.67837 0.68872 0.60311 1.00000
H5 H 0.54016 0.76467 0.24231 1.00000
H6 H 0.73337 0.92213 0.80849 1.00000
H7 H 0.07787 0.26663 0.19151 1.00000
H8 H 0.23533 0.45984 0.75769 1.00000
Rh1 Rh 0.88271 0.52541 0.36557 1.00000
Rh2 Rh 0.47459 0.11729 0.63443 1.00000
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