Pr2CoS
Alexandria ALEXAlex-ID: agm005756975 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_434_spg63
PrCo PrS
2023-07-13 15:06:06.517012
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756975).
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 agm005756975
data_agm005756975
_cell_length_a 4.03314
_cell_length_b 4.10784
_cell_length_c 12.00358
_cell_angle_alpha 99.85236
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 195.93665
_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 0.75000 0.68936 0.37872 1.00000
Pr2 Pr 0.25000 0.31064 0.62128 1.00000
Pr3 Pr 0.75000 0.93265 0.86531 1.00000
Pr4 Pr 0.25000 0.06735 0.13469 1.00000
Co1 Co 0.25000 0.47812 0.95624 1.00000
Co2 Co 0.75000 0.52188 0.04376 1.00000
S1 S 0.25000 0.18994 0.37988 1.00000
S2 S 0.75000 0.81006 0.62012 1.00000
获取直接链接