Dy20Ge12C
Alexandria ALEXAlex-ID: agm008129084 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB12C20_2_spg10
Dy15Ge9C Dy5Ge3
2024-12-05 01:23:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008129084).
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 agm008129084
data_agm008129084
_cell_length_a 6.44474
_cell_length_b 14.74158
_cell_length_c 8.51654
_cell_angle_alpha 90.00000
_cell_angle_beta 89.98217
_cell_angle_gamma 90.00000
_cell_volume 809.11932
_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 0.50000 0.66259 0.00000 1.00000
Dy2 Dy 0.50000 0.17082 0.50000 1.00000
Dy3 Dy 0.50000 0.82918 0.50000 1.00000
Dy4 Dy 0.50000 0.33741 0.00000 1.00000
Dy5 Dy 0.00000 0.83756 0.50000 1.00000
Dy6 Dy 0.00000 0.32848 0.00000 1.00000
Dy7 Dy 0.00000 0.67152 0.00000 1.00000
Dy8 Dy 0.00000 0.16244 0.50000 1.00000
Dy9 Dy 0.75467 0.50000 0.74177 1.00000
Dy10 Dy 0.72598 0.00000 0.23362 1.00000
Dy11 Dy 0.75175 0.62043 0.37949 1.00000
Dy12 Dy 0.72753 0.11683 0.88285 1.00000
Dy13 Dy 0.72753 0.88317 0.88285 1.00000
Dy14 Dy 0.75175 0.37957 0.37949 1.00000
Dy15 Dy 0.27402 0.00000 0.76638 1.00000
Dy16 Dy 0.24533 0.50000 0.25823 1.00000
Dy17 Dy 0.27247 0.88317 0.11715 1.00000
Dy18 Dy 0.24825 0.37957 0.62051 1.00000
Dy19 Dy 0.24825 0.62043 0.62051 1.00000
Dy20 Dy 0.27247 0.11683 0.11715 1.00000
Ge1 Ge 0.73915 0.00000 0.60125 1.00000
Ge2 Ge 0.75858 0.50000 0.10501 1.00000
Ge3 Ge 0.74411 0.80049 0.19898 1.00000
Ge4 Ge 0.75331 0.30291 0.69755 1.00000
Ge5 Ge 0.75331 0.69709 0.69755 1.00000
Ge6 Ge 0.74411 0.19951 0.19898 1.00000
Ge7 Ge 0.24142 0.50000 0.89499 1.00000
Ge8 Ge 0.26085 0.00000 0.39875 1.00000
Ge9 Ge 0.24669 0.69709 0.30245 1.00000
Ge10 Ge 0.25589 0.19951 0.80102 1.00000
Ge11 Ge 0.25589 0.80049 0.80102 1.00000
Ge12 Ge 0.24669 0.30291 0.30245 1.00000
C1 C 0.50000 0.00000 0.00000 1.00000
