Y2PaCo3
Alexandria ALEXAlex-ID: agm005678250 · 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_357_spg62
Y3Co4 YPaCo2 Y2PaCo2
2023-08-17 11:38:30.823492
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678250).
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 agm005678250
data_agm005678250
_cell_length_a 3.77770
_cell_length_b 6.63183
_cell_length_c 19.27836
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 482.98164
_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
Y1 Y 0.25000 0.61841 0.59295 1.00000
Y2 Y 0.75000 0.88159 0.09295 1.00000
Y3 Y 0.25000 0.11841 0.90705 1.00000
Y4 Y 0.75000 0.38159 0.40705 1.00000
Y5 Y 0.25000 0.73592 0.78071 1.00000
Y6 Y 0.75000 0.76408 0.28071 1.00000
Y7 Y 0.25000 0.23592 0.71929 1.00000
Y8 Y 0.75000 0.26408 0.21929 1.00000
Pa1 Pa 0.25000 0.91475 0.42618 1.00000
Pa2 Pa 0.75000 0.58525 0.92618 1.00000
Pa3 Pa 0.25000 0.41475 0.07382 1.00000
Pa4 Pa 0.75000 0.08525 0.57382 1.00000
Co1 Co 0.25000 0.75223 0.98675 1.00000
Co2 Co 0.75000 0.74777 0.48675 1.00000
Co3 Co 0.25000 0.25223 0.51325 1.00000
Co4 Co 0.75000 0.24777 0.01325 1.00000
Co5 Co 0.25000 0.95302 0.20388 1.00000
Co6 Co 0.75000 0.54698 0.70388 1.00000
Co7 Co 0.25000 0.45302 0.29612 1.00000
Co8 Co 0.75000 0.04698 0.79612 1.00000
Co9 Co 0.25000 0.59914 0.16939 1.00000
Co10 Co 0.75000 0.90086 0.66939 1.00000
Co11 Co 0.25000 0.09914 0.33061 1.00000
Co12 Co 0.75000 0.40086 0.83061 1.00000
