Dy2Y5ErTm
Alexandria ALEXAlex-ID: agm005154284 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_205_spg140
Dy5Tm ErTm5 Y5Tm Y5Er
2023-01-19 16:20:18.167238
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005154284).
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 agm005154284
data_agm005154284
_cell_length_a 8.63400
_cell_length_b 8.63400
_cell_length_c 9.84948
_cell_angle_alpha 115.99530
_cell_angle_beta 115.99530
_cell_angle_gamma 90.00000
_cell_volume 576.17414
_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 0.11669 0.38331 0.00000 1.00000
Dy2 Dy 0.61669 0.11669 0.00000 1.00000
Dy3 Dy 0.38331 0.88331 1.00000 1.00000
Dy4 Dy 0.88331 0.61669 0.00000 1.00000
Y1 Y 0.93043 0.43043 0.27568 1.00000
Y2 Y 0.65475 0.15475 0.72432 1.00000
Y3 Y 0.06957 0.56957 0.72432 1.00000
Y4 Y 0.15475 0.06957 0.72432 1.00000
Y5 Y 0.56957 0.65475 0.72432 1.00000
Y6 Y 0.84525 0.93043 0.27568 1.00000
Y7 Y 0.43043 0.34525 0.27568 1.00000
Y8 Y 0.34525 0.84525 0.27568 1.00000
Y9 Y 0.50000 0.50000 0.00000 1.00000
Y10 Y 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.25000 0.75000 0.50000 1.00000
Er2 Er 0.75000 0.25000 0.50000 1.00000
Tm1 Tm 0.25000 0.25000 0.50000 1.00000
Tm2 Tm 0.75000 0.75000 0.50000 1.00000
获取直接链接