Sr3CeRh8
Alexandria ALEXAlex-ID: agm005990633 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_29_spg160
Sr3CeRh8
2023-09-12 16:47:17
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990633).
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
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# CIF generated by HEAS from Alexandria entry agm005990633
data_agm005990633
_cell_length_a 5.44610
_cell_length_b 5.44610
_cell_length_c 9.45410
_cell_angle_alpha 73.26003
_cell_angle_beta 73.26004
_cell_angle_gamma 60.00000
_cell_volume 229.01644
_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 0.37451 0.37451 0.87647 1.00000
Sr2 Sr 0.00151 0.00151 0.99546 1.00000
Sr3 Sr 0.49841 0.49841 0.50476 1.00000
Ce1 Ce 0.87409 0.87409 0.37772 1.00000
Rh1 Rh 0.93155 0.43708 0.19429 1.00000
Rh2 Rh 0.44426 0.93810 0.67953 1.00000
Rh3 Rh 0.43708 0.43708 0.19429 1.00000
Rh4 Rh 0.93810 0.93810 0.67953 1.00000
Rh5 Rh 0.18775 0.18775 0.43676 1.00000
Rh6 Rh 0.68754 0.68754 0.93738 1.00000
Rh7 Rh 0.43708 0.93155 0.19429 1.00000
Rh8 Rh 0.93810 0.44426 0.67953 1.00000
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