Dy12Tm7Sc
Alexandria ALEXAlex-ID: agm005778765 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB7C12_35_spg166
Dy5Tm DyTm5 Sc
2023-07-16 08:52:09.560670
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778765).
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 agm005778765
data_agm005778765
_cell_length_a 6.04028
_cell_length_b 11.25389
_cell_length_c 11.25389
_cell_angle_alpha 116.87125
_cell_angle_beta 100.30624
_cell_angle_gamma 100.30624
_cell_volume 641.30491
_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 0.08534 0.58461 0.17077 1.00000
Dy2 Dy 0.08543 0.17077 0.58616 1.00000
Dy3 Dy 0.58004 0.64847 0.00129 1.00000
Dy4 Dy 0.42126 0.00129 0.35283 1.00000
Dy5 Dy 0.49927 0.41384 0.58461 1.00000
Dy6 Dy 0.06843 0.64717 0.64847 1.00000
Dy7 Dy 0.93157 0.35283 0.35153 1.00000
Dy8 Dy 0.50073 0.58616 0.41539 1.00000
Dy9 Dy 0.57874 0.99871 0.64717 1.00000
Dy10 Dy 0.41996 0.35153 0.99871 1.00000
Dy11 Dy 0.91457 0.82923 0.41384 1.00000
Dy12 Dy 0.91466 0.41539 0.82923 1.00000
Tm1 Tm 0.11706 0.75925 0.00127 1.00000
Tm2 Tm 0.88421 0.00127 0.24203 1.00000
Tm3 Tm 0.64219 0.75797 0.75925 1.00000
Tm4 Tm 0.50000 0.00000 0.00000 1.00000
Tm5 Tm 0.35781 0.24203 0.24075 1.00000
Tm6 Tm 0.11579 0.99873 0.75797 1.00000
Tm7 Tm 0.88294 0.24075 0.99873 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
