Dy21Mn8Sb7C12
Alexandria ALEXAlex-ID: agm019293153 · 空间群: Fm-3m (#225)
基础信息
组成
能量与稳定性
电子结构
其他信息
A7B8C12D21_0_spg225
Dy21Mn8Sb7C12
2024-10-03 07:58:37.595870
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019293153).
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 agm019293153
data_agm019293153
_cell_length_a 11.05306
_cell_length_b 11.05306
_cell_length_c 11.05306
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 954.84457
_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 0.00000 0.33928 0.66072 1.00000
Dy2 Dy 0.33928 0.00000 0.00000 1.00000
Dy3 Dy 0.00000 0.00000 0.66072 1.00000
Dy4 Dy 0.09033 0.63656 0.63656 1.00000
Dy5 Dy 0.33928 0.66072 0.00000 1.00000
Dy6 Dy 0.00000 0.33928 0.00000 1.00000
Dy7 Dy 0.36344 0.36344 0.36344 1.00000
Dy8 Dy 0.36344 0.36344 0.90967 1.00000
Dy9 Dy 0.00000 0.66072 0.00000 1.00000
Dy10 Dy 0.00000 0.66072 0.33928 1.00000
Dy11 Dy 0.66072 0.33928 0.00000 1.00000
Dy12 Dy 0.66072 0.00000 0.33928 1.00000
Dy13 Dy 0.66072 0.00000 0.00000 1.00000
Dy14 Dy 0.00000 0.00000 0.33928 1.00000
Dy15 Dy 0.36344 0.90967 0.36344 1.00000
Dy16 Dy 0.63656 0.09033 0.63656 1.00000
Dy17 Dy 0.90967 0.36344 0.36344 1.00000
Dy18 Dy 0.33928 0.00000 0.66072 1.00000
Dy19 Dy 0.63656 0.63656 0.63656 1.00000
Dy20 Dy 0.63656 0.63656 0.09033 1.00000
Dy21 Dy 0.50000 0.50000 0.50000 1.00000
Mn1 Mn 0.19382 0.41855 0.19382 1.00000
Mn2 Mn 0.80618 0.80618 0.58145 1.00000
Mn3 Mn 0.58145 0.80618 0.80618 1.00000
Mn4 Mn 0.41855 0.19382 0.19382 1.00000
Mn5 Mn 0.80618 0.80618 0.80618 1.00000
Mn6 Mn 0.19382 0.19382 0.19382 1.00000
Mn7 Mn 0.19382 0.19382 0.41855 1.00000
Mn8 Mn 0.80618 0.58145 0.80618 1.00000
Sb1 Sb 0.70843 0.70843 0.29157 1.00000
Sb2 Sb 0.70843 0.29157 0.70843 1.00000
Sb3 Sb 0.29157 0.29157 0.70843 1.00000
Sb4 Sb 0.29157 0.70843 0.29157 1.00000
Sb5 Sb 0.29157 0.70843 0.70843 1.00000
Sb6 Sb 0.70843 0.29157 0.29157 1.00000
Sb7 Sb 0.00000 0.00000 0.00000 1.00000
C1 C 0.60170 0.60170 0.89830 1.00000
C2 C 0.89830 0.60170 0.89830 1.00000
C3 C 0.39830 0.10170 0.39830 1.00000
C4 C 0.10170 0.39830 0.10170 1.00000
C5 C 0.10170 0.10170 0.39830 1.00000
C6 C 0.60170 0.89830 0.60170 1.00000
C7 C 0.89830 0.60170 0.60170 1.00000
C8 C 0.60170 0.89830 0.89830 1.00000
C9 C 0.89830 0.89830 0.60170 1.00000
C10 C 0.39830 0.39830 0.10170 1.00000
C11 C 0.10170 0.39830 0.39830 1.00000
C12 C 0.39830 0.10170 0.10170 1.00000
