Dy3NpCo8
Alexandria ALEXAlex-ID: agm005993300 · 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
DyCo2 DyCo3 NpCo
2023-09-07 23:39:42.411877
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005993300).
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 agm005993300
data_agm005993300
_cell_length_a 5.04561
_cell_length_b 5.04561
_cell_length_c 8.72561
_cell_angle_alpha 73.19433
_cell_angle_beta 73.19433
_cell_angle_gamma 60.00001
_cell_volume 181.33990
_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
Dy1 Dy 0.37476 0.37476 0.87572 1.00000
Dy2 Dy 0.99986 0.99986 0.00043 1.00000
Dy3 Dy 0.50002 0.50002 0.49994 1.00000
Np1 Np 0.87496 0.87496 0.37512 1.00000
Co1 Co 0.93617 0.43663 0.19058 1.00000
Co2 Co 0.44101 0.93723 0.68452 1.00000
Co3 Co 0.43663 0.43663 0.19058 1.00000
Co4 Co 0.93723 0.93723 0.68452 1.00000
Co5 Co 0.18785 0.18785 0.43646 1.00000
Co6 Co 0.68765 0.68765 0.93704 1.00000
Co7 Co 0.43663 0.93617 0.19058 1.00000
Co8 Co 0.93723 0.44101 0.68452 1.00000
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