Dy2Ag3Pb
Alexandria ALEXAlex-ID: agm005667733 · 空间群: P6/mmm (#191)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2046_spg191
DyAg2 DyAgPb
2023-08-07 02:30:43.402136
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667733).
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 agm005667733
data_agm005667733
_cell_length_a 6.93075
_cell_length_b 9.70999
_cell_length_c 9.71000
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 565.91222
_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 0.25000 0.00000 0.00000 1.00000
Dy2 Dy 0.75000 0.00000 0.00000 1.00000
Dy3 Dy 0.25000 0.49965 0.99930 1.00000
Dy4 Dy 0.25000 0.49965 0.50035 1.00000
Dy5 Dy 0.25000 0.00070 0.50035 1.00000
Dy6 Dy 0.75000 0.50035 0.00070 1.00000
Dy7 Dy 0.75000 0.50035 0.49965 1.00000
Dy8 Dy 0.75000 0.99930 0.49965 1.00000
Ag1 Ag 0.00134 0.83660 0.67320 1.00000
Ag2 Ag 0.00134 0.83660 0.16340 1.00000
Ag3 Ag 0.00134 0.32680 0.16340 1.00000
Ag4 Ag 0.99866 0.16340 0.32680 1.00000
Ag5 Ag 0.99866 0.16340 0.83660 1.00000
Ag6 Ag 0.99866 0.67320 0.83660 1.00000
Ag7 Ag 0.50134 0.16340 0.32680 1.00000
Ag8 Ag 0.50134 0.16340 0.83660 1.00000
Ag9 Ag 0.50134 0.67320 0.83660 1.00000
Ag10 Ag 0.49866 0.83660 0.67320 1.00000
Ag11 Ag 0.49866 0.83660 0.16340 1.00000
Ag12 Ag 0.49866 0.32680 0.16340 1.00000
Pb1 Pb 0.00066 0.66667 0.33333 1.00000
Pb2 Pb 0.99934 0.33333 0.66667 1.00000
Pb3 Pb 0.50066 0.33333 0.66667 1.00000
Pb4 Pb 0.49934 0.66667 0.33333 1.00000
