Dy3ErTi
Alexandria ALEXAlex-ID: agm013206571 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_359_spg15
Dy5Er4 Dy7Er2 Ti
2024-07-14 04:27:43.912579
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013206571).
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 agm013206571
data_agm013206571
_cell_length_a 6.06935
_cell_length_b 6.53620
_cell_length_c 9.17017
_cell_angle_alpha 95.96661
_cell_angle_beta 110.93661
_cell_angle_gamma 117.97907
_cell_volume 283.32134
_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 0.62206 0.24463 0.65279 1.00000
Dy2 Dy 0.02110 0.24609 0.45040 1.00000
Dy3 Dy 0.20843 0.73077 0.94769 1.00000
Dy4 Dy 0.79157 0.26923 0.05231 1.00000
Dy5 Dy 0.97890 0.75391 0.54960 1.00000
Dy6 Dy 0.37794 0.75537 0.34721 1.00000
Er1 Er 0.63584 0.76446 0.78266 1.00000
Er2 Er 0.36416 0.23554 0.21734 1.00000
Ti1 Ti 0.74811 0.71693 0.14442 1.00000
Ti2 Ti 0.25189 0.28307 0.85558 1.00000
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