Dy2Er2Tl5
Alexandria ALEXAlex-ID: agm003314743 · 空间群: Cmce (#64)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_59_spg64
Dy2ErTl3 DyEr2Tl3 DyTl3
2022-01-19 18:20:15.713469
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003314743).
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 agm003314743
data_agm003314743
_cell_length_a 8.12100
_cell_length_b 8.01965
_cell_length_c 8.96925
_cell_angle_alpha 116.55543
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 522.51961
_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 0.00000 0.19955 0.39909 1.00000
Dy2 Dy 0.50000 0.69955 0.39909 1.00000
Dy3 Dy 0.00000 0.80045 0.60091 1.00000
Dy4 Dy 0.50000 0.30045 0.60091 1.00000
Er1 Er 0.65546 0.84771 0.00000 1.00000
Er2 Er 0.34454 0.15229 1.00000 1.00000
Er3 Er 0.15546 0.65229 1.00000 1.00000
Er4 Er 0.84454 0.34771 0.00000 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Tl2 Tl 0.50000 0.50000 0.00000 1.00000
Tl3 Tl 0.85349 0.78406 0.27135 1.00000
Tl4 Tl 0.14651 0.48729 0.27135 1.00000
Tl5 Tl 0.35349 0.98729 0.27135 1.00000
Tl6 Tl 0.64651 0.28406 0.27135 1.00000
Tl7 Tl 0.14651 0.21594 0.72865 1.00000
Tl8 Tl 0.85349 0.51271 0.72865 1.00000
Tl9 Tl 0.64651 0.01271 0.72865 1.00000
Tl10 Tl 0.35349 0.71594 0.72865 1.00000
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