Dy4ErSc7
Alexandria ALEXAlex-ID: agm003668074 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C7_85_spg12
Dy7Er2 Dy Sc
2022-04-27 14:16:32.486063
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003668074).
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 agm003668074
data_agm003668074
_cell_length_a 5.52143
_cell_length_b 11.25194
_cell_length_c 6.29015
_cell_angle_alpha 86.98942
_cell_angle_beta 63.96663
_cell_angle_gamma 75.79722
_cell_volume 339.72073
_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 0.64639 0.22605 0.48116 1.00000
Dy2 Dy 0.35361 0.77395 0.51884 1.00000
Dy3 Dy 0.69785 0.70538 0.89893 1.00000
Dy4 Dy 0.30215 0.29462 0.10107 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.79263 0.91474 0.49999 1.00000
Sc2 Sc 0.20737 0.08526 0.50001 1.00000
Sc3 Sc 0.03180 0.61776 0.31863 1.00000
Sc4 Sc 0.96820 0.38224 0.68137 1.00000
Sc5 Sc 0.35378 0.51605 0.77639 1.00000
Sc6 Sc 0.50000 0.00000 0.00000 1.00000
Sc7 Sc 0.64622 0.48395 0.22361 1.00000
获取直接链接