Sr8CuRh2
Alexandria ALEXAlex-ID: agm005998910 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_139_spg164
Sr2CuRh Sr6Rh
2023-10-13 05:39:56.226461
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998910).
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 agm005998910
data_agm005998910
_cell_length_a 6.41123
_cell_length_b 9.35565
_cell_length_c 9.35559
_cell_angle_alpha 120.01388
_cell_angle_beta 89.99969
_cell_angle_gamma 90.00257
_cell_volume 485.91104
_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 0.24948 0.66667 0.33327 1.00000
Sr2 Sr 0.75052 0.33333 0.66669 1.00000
Sr3 Sr 0.75139 0.83670 0.16146 1.00000
Sr4 Sr 0.24860 0.16152 0.32481 1.00000
Sr5 Sr 0.24864 0.67524 0.83667 1.00000
Sr6 Sr 0.24861 0.16331 0.83853 1.00000
Sr7 Sr 0.75140 0.83847 0.67516 1.00000
Sr8 Sr 0.75136 0.32476 0.16333 1.00000
Rh1 Rh 0.24978 0.33334 0.66672 1.00000
Rh2 Rh 0.75022 0.66666 0.33326 1.00000
Cu1 Cu 0.00000 0.00000 0.99999 1.00000
获取直接链接