Tb4Dy3Sc2
Alexandria ALEXAlex-ID: agm003333137 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_438_spg15
Tb5Dy TbDy5 Sc
2022-02-02 09:56:34.476413
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003333137).
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 agm003333137
data_agm003333137
_cell_length_a 9.42605
_cell_length_b 7.68270
_cell_length_c 7.68270
_cell_angle_alpha 97.96494
_cell_angle_beta 84.19445
_cell_angle_gamma 84.19444
_cell_volume 544.41083
_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
Tb1 Tb 0.41183 0.94860 0.19190 1.00000
Tb2 Tb 0.08817 0.80810 0.05140 1.00000
Tb3 Tb 0.58817 0.05140 0.80810 1.00000
Tb4 Tb 0.91183 0.19190 0.94860 1.00000
Tb5 Tb 0.08114 0.18222 0.37781 1.00000
Tb6 Tb 0.41886 0.62219 0.81778 1.00000
Tb7 Tb 0.91886 0.81778 0.62219 1.00000
Tb8 Tb 0.58114 0.37781 0.18222 1.00000
Dy1 Dy 0.75982 0.01905 0.31199 1.00000
Dy2 Dy 0.74018 0.68801 0.98095 1.00000
Dy3 Dy 0.24018 0.98095 0.68801 1.00000
Dy4 Dy 0.25982 0.31199 0.01905 1.00000
Dy5 Dy 0.25000 0.60614 0.39386 1.00000
Dy6 Dy 0.75000 0.39386 0.60614 1.00000
Sc1 Sc 0.41390 0.26335 0.53470 1.00000
Sc2 Sc 0.08610 0.46530 0.73666 1.00000
Sc3 Sc 0.58610 0.73665 0.46530 1.00000
Sc4 Sc 0.91390 0.53470 0.26334 1.00000
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