LiDy4Tl7
Alexandria ALEXAlex-ID: agm003667535 · 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_92_spg12
Li2Dy5Tl9 DyTl3 DyTl
2022-04-20 10:27:40.864845
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003667535).
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
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# CIF generated by HEAS from Alexandria entry agm003667535
data_agm003667535
_cell_length_a 5.33716
_cell_length_b 9.63562
_cell_length_c 7.63248
_cell_angle_alpha 80.07240
_cell_angle_beta 69.53504
_cell_angle_gamma 73.92179
_cell_volume 352.10957
_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
Li1 Li 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.57837 0.21705 0.62622 1.00000
Dy2 Dy 0.42163 0.78295 0.37378 1.00000
Dy3 Dy 0.71572 0.66612 0.90244 1.00000
Dy4 Dy 0.28428 0.33388 0.09756 1.00000
Tl1 Tl 0.77810 0.89060 0.55319 1.00000
Tl2 Tl 0.22190 0.10940 0.44681 1.00000
Tl3 Tl 0.07813 0.68832 0.15541 1.00000
Tl4 Tl 0.92187 0.31168 0.84459 1.00000
Tl5 Tl 0.36708 0.55131 0.71452 1.00000
Tl6 Tl 0.50000 0.00000 0.00000 1.00000
Tl7 Tl 0.63292 0.44869 0.28548 1.00000
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