Sm(Dy3Tl2)2
Alexandria ALEXAlex-ID: agm003662425 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C6_23_spg121
Dy9Tl4 Dy5Tl3 Sm5Tl3
2022-04-08 13:18:58.814904
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003662425).
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 agm003662425
data_agm003662425
_cell_length_a 8.04660
_cell_length_b 8.04660
_cell_length_c 8.04660
_cell_angle_alpha 86.59881
_cell_angle_beta 121.98273
_cell_angle_gamma 121.98273
_cell_volume 356.67711
_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
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 1.00000 0.89608 0.52634 1.00000
Dy2 Dy 1.00000 0.52634 0.89608 1.00000
Dy3 Dy 0.63026 0.10392 0.10392 1.00000
Dy4 Dy 0.50000 0.00000 0.50000 1.00000
Dy5 Dy 0.36974 0.47366 0.47366 1.00000
Dy6 Dy 0.50000 0.50000 0.00000 1.00000
Tl1 Tl 0.00000 0.25363 0.60339 1.00000
Tl2 Tl 0.65025 0.39661 0.39661 1.00000
Tl3 Tl 0.00000 0.60339 0.25363 1.00000
Tl4 Tl 0.34975 0.74637 0.74637 1.00000
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