Sc4CoRh3
Alexandria ALEXAlex-ID: agm017134399 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_344_spg139
Sc6CoRh5 Sc3CoRh2
2025-01-01 05:20:44
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017134399).
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 agm017134399
data_agm017134399
_cell_length_a 7.15793
_cell_length_b 7.15793
_cell_length_c 7.15793
_cell_angle_alpha 143.07753
_cell_angle_beta 143.07753
_cell_angle_gamma 53.20897
_cell_volume 131.52642
_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
Sc1 Sc 0.37699 0.87699 0.50000 1.00000
Sc2 Sc 0.62301 0.12301 0.50000 1.00000
Sc3 Sc 0.12301 0.62301 0.50000 1.00000
Sc4 Sc 0.87699 0.37699 0.50000 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
Rh2 Rh 0.24909 0.24909 0.00000 1.00000
Rh3 Rh 0.75091 0.75091 0.00000 1.00000
