Dy(YTl)2
Alexandria ALEXAlex-ID: agm005878366 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_1487_spg63
Dy2(YTl)3 Dy5Tl4 Y5Tl4
2023-08-04 12:50:54.422148
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005878366).
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 agm005878366
data_agm005878366
_cell_length_a 3.78471
_cell_length_b 5.38116
_cell_length_c 14.11621
_cell_angle_alpha 90.00000
_cell_angle_beta 97.72112
_cell_angle_gamma 90.00000
_cell_volume 284.88604
_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 0.85168 0.75000 0.70183 1.00000
Dy2 Dy 0.14832 0.25000 0.29817 1.00000
Y1 Y 0.04961 0.75000 0.09871 1.00000
Y2 Y 0.95039 0.25000 0.90129 1.00000
Y3 Y 0.23784 0.75000 0.47538 1.00000
Y4 Y 0.76216 0.25000 0.52462 1.00000
Tl1 Tl 0.64494 0.75000 0.29060 1.00000
Tl2 Tl 0.35506 0.25000 0.70940 1.00000
Tl3 Tl 0.45073 0.75000 0.90213 1.00000
Tl4 Tl 0.54927 0.25000 0.09787 1.00000
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