Pr3CoRh2
Alexandria ALEXAlex-ID: agm017396440 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1909_spg14
Pr3Rh2 Co
2025-04-13 19:07:55
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017396440).
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 agm017396440
data_agm017396440
_cell_length_a 4.10716
_cell_length_b 11.63822
_cell_length_c 11.89967
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 568.80481
_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
Pr1 Pr 0.25000 0.94256 0.87723 1.00000
Pr2 Pr 0.75000 0.05744 0.12277 1.00000
Pr3 Pr 0.75000 0.55744 0.37723 1.00000
Pr4 Pr 0.25000 0.44256 0.62277 1.00000
Pr5 Pr 0.25000 0.79295 0.19640 1.00000
Pr6 Pr 0.75000 0.20705 0.80360 1.00000
Pr7 Pr 0.75000 0.70705 0.69640 1.00000
Pr8 Pr 0.25000 0.29295 0.30360 1.00000
Pr9 Pr 0.25000 0.62126 0.94413 1.00000
Pr10 Pr 0.75000 0.37874 0.05587 1.00000
Pr11 Pr 0.75000 0.87874 0.44413 1.00000
Pr12 Pr 0.25000 0.12126 0.55587 1.00000
Co1 Co 0.25000 0.87541 0.63354 1.00000
Co2 Co 0.75000 0.12459 0.36646 1.00000
Co3 Co 0.75000 0.62459 0.13354 1.00000
Co4 Co 0.25000 0.37541 0.86646 1.00000
Rh1 Rh 0.25000 0.52327 0.18958 1.00000
Rh2 Rh 0.75000 0.47673 0.81042 1.00000
Rh3 Rh 0.75000 0.97673 0.68958 1.00000
Rh4 Rh 0.25000 0.02327 0.31042 1.00000
Rh5 Rh 0.25000 0.68621 0.51267 1.00000
Rh6 Rh 0.75000 0.31379 0.48733 1.00000
Rh7 Rh 0.75000 0.81379 0.01267 1.00000
Rh8 Rh 0.25000 0.18621 0.98733 1.00000
