Dy5Sc2Tl5
Alexandria ALEXAlex-ID: agm003374444 · 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
A2B5C5_48_spg12
Dy3Sc2Tl3 Dy2Sc3Tl4 Dy5Tl4
2022-02-08 21:21:15.906992
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003374444).
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 agm003374444
data_agm003374444
_cell_length_a 4.86018
_cell_length_b 6.32532
_cell_length_c 13.32979
_cell_angle_alpha 114.16599
_cell_angle_beta 90.00000
_cell_angle_gamma 112.59314
_cell_volume 339.11171
_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 0.50000 0.00000 0.50000 1.00000
Dy2 Dy 0.66017 0.32034 0.01707 1.00000
Dy3 Dy 0.70001 0.40002 0.29861 1.00000
Dy4 Dy 0.29999 0.59998 0.70139 1.00000
Dy5 Dy 0.33983 0.67966 0.98293 1.00000
Sc1 Sc 0.03950 0.07899 0.79347 1.00000
Sc2 Sc 0.96050 0.92101 0.20653 1.00000
Tl1 Tl 0.14983 0.29966 0.44159 1.00000
Tl2 Tl 0.68184 0.36368 0.78296 1.00000
Tl3 Tl 0.31816 0.63632 0.21704 1.00000
Tl4 Tl 0.85017 0.70034 0.55841 1.00000
Tl5 Tl 0.00000 0.00000 0.00000 1.00000
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