TbDy2Y3
Alexandria ALEXAlex-ID: agm003408071 · 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
AB2C3_1038_spg12
DyY5 Tb5Dy TbDy5
2022-02-15 17:39:07.474483
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003408071).
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 agm003408071
data_agm003408071
_cell_length_a 3.50586
_cell_length_b 9.04540
_cell_length_c 12.91685
_cell_angle_alpha 78.28576
_cell_angle_beta 82.20038
_cell_angle_gamma 78.82579
_cell_volume 391.49845
_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
Tb1 Tb 0.43799 0.48037 0.64365 1.00000
Tb2 Tb 0.56201 0.51963 0.35635 1.00000
Dy1 Dy 0.81869 0.47948 0.88313 1.00000
Dy2 Dy 0.18131 0.52052 0.11687 1.00000
Dy3 Dy 0.65761 0.15342 0.53136 1.00000
Dy4 Dy 0.34239 0.84658 0.46864 1.00000
Y1 Y 0.03862 0.13660 0.78615 1.00000
Y2 Y 0.96138 0.86340 0.21385 1.00000
Y3 Y 0.59963 0.82630 0.97445 1.00000
Y4 Y 0.40037 0.17370 0.02555 1.00000
Y5 Y 0.74002 0.81377 0.70620 1.00000
Y6 Y 0.25998 0.18623 0.29380 1.00000
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