Dy2Ho12Sc
Alexandria ALEXAlex-ID: agm005790366 · 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
AB2C12_75_spg65
Dy2Ho7 DyHo8 Sc
2023-07-18 02:23:52.192510
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005790366).
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 agm005790366
data_agm005790366
_cell_length_a 6.47619
_cell_length_b 6.47619
_cell_length_c 25.31803
_cell_angle_alpha 81.55753
_cell_angle_beta 81.55752
_cell_angle_gamma 113.83907
_cell_volume 935.47289
_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 0.58825 0.08825 0.27692 1.00000
Dy2 Dy 0.08826 0.58826 0.27692 1.00000
Dy3 Dy 0.91175 0.41175 0.72308 1.00000
Dy4 Dy 0.41174 0.91174 0.72308 1.00000
Ho1 Ho 0.33487 0.33487 0.80045 1.00000
Ho2 Ho 0.83487 0.83487 0.80045 1.00000
Ho3 Ho 0.67276 0.67276 0.93847 1.00000
Ho4 Ho 0.26662 0.76662 0.87190 1.00000
Ho5 Ho 0.03593 0.03593 0.33149 1.00000
Ho6 Ho 0.23338 0.73338 0.12810 1.00000
Ho7 Ho 0.80220 0.30220 0.57493 1.00000
Ho8 Ho 0.53593 0.53593 0.33149 1.00000
Ho9 Ho 0.17276 0.17276 0.93847 1.00000
Ho10 Ho 0.82724 0.82724 0.06153 1.00000
Ho11 Ho 0.32202 0.32202 0.55469 1.00000
Ho12 Ho 0.69780 0.19780 0.42507 1.00000
Ho13 Ho 0.96407 0.96407 0.66851 1.00000
Ho14 Ho 0.17798 0.17798 0.44531 1.00000
Ho15 Ho 0.32724 0.32724 0.06153 1.00000
Ho16 Ho 0.67798 0.67798 0.44531 1.00000
Ho17 Ho 0.82202 0.82202 0.55469 1.00000
Ho18 Ho 0.16513 0.16513 0.19955 1.00000
Ho19 Ho 0.30220 0.80220 0.57493 1.00000
Ho20 Ho 0.46407 0.46407 0.66851 1.00000
Ho21 Ho 0.76661 0.26661 0.87191 1.00000
Ho22 Ho 0.66513 0.66513 0.19955 1.00000
Ho23 Ho 0.19780 0.69780 0.42507 1.00000
Ho24 Ho 0.73339 0.23339 0.12809 1.00000
Sc1 Sc 0.50000 1.00000 0.00000 1.00000
Sc2 Sc 0.00000 0.50000 1.00000 1.00000
