Sr2HRhAu
Alexandria ALEXAlex-ID: agm007638482 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_1539_spg11
Sr2H2Rh Sr2H4Rh SrRh2 SrAu
2024-03-06 05:03:06.144279
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007638482).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm007638482
data_agm007638482
_cell_length_a 4.37809
_cell_length_b 6.45538
_cell_length_c 8.77883
_cell_angle_alpha 71.35887
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 235.09350
_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 0.25000 0.28138 0.90382 1.00000
Sr2 Sr 0.25000 0.25423 0.45446 1.00000
Sr3 Sr 0.75000 0.71862 0.09618 1.00000
Sr4 Sr 0.75000 0.74577 0.54554 1.00000
H1 H 0.75000 0.34859 0.60183 1.00000
H2 H 0.25000 0.65141 0.39817 1.00000
Rh1 Rh 0.75000 0.09348 0.72472 1.00000
Rh2 Rh 0.25000 0.90652 0.27528 1.00000
Au1 Au 0.75000 0.17696 0.19597 1.00000
Au2 Au 0.25000 0.82304 0.80403 1.00000
获取直接链接