SrSi(H4Ru)2
Alexandria ALEXAlex-ID: agm007452371 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_38_spg12
Sr2H6Ru SiH20 SiRu Ru
2024-08-08 00:42:53.227095
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007452371).
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 agm007452371
data_agm007452371
_cell_length_a 4.43337
_cell_length_b 4.43337
_cell_length_c 6.82894
_cell_angle_alpha 70.67473
_cell_angle_beta 70.67473
_cell_angle_gamma 55.55618
_cell_volume 102.65536
_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 0.50000 0.50000 0.00000 1.00000
Si1 Si 0.00000 0.00000 0.50000 1.00000
H1 H 0.07803 0.07803 0.79092 1.00000
H2 H 0.28845 0.28845 0.38082 1.00000
H3 H 0.92197 0.92197 0.20908 1.00000
H4 H 0.71155 0.71155 0.61918 1.00000
H5 H 0.41714 0.92786 0.20432 1.00000
H6 H 0.58286 0.07214 0.79568 1.00000
H7 H 0.92786 0.41714 0.20432 1.00000
H8 H 0.07214 0.58286 0.79568 1.00000
Ru1 Ru 0.70337 0.70337 0.37412 1.00000
Ru2 Ru 0.29663 0.29663 0.62588 1.00000
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