Tb4Dy2Y3
Alexandria ALEXAlex-ID: agm003332452 · 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_573_spg15
DyY5 Tb5Dy TbDy5
2022-01-30 06:57:58.869640
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003332452).
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}
}
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# CIF generated by HEAS from Alexandria entry agm003332452
data_agm003332452
_cell_length_a 6.14800
_cell_length_b 11.26808
_cell_length_c 11.26808
_cell_angle_alpha 61.97695
_cell_angle_beta 61.79910
_cell_angle_gamma 61.79910
_cell_volume 574.93772
_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 0.42101 0.90477 0.18835 1.00000
Tb2 Tb 0.07899 0.81165 0.09523 1.00000
Tb3 Tb 0.57899 0.09523 0.81165 1.00000
Tb4 Tb 0.92101 0.18835 0.90477 1.00000
Tb5 Tb 0.07887 0.14488 0.42904 1.00000
Tb6 Tb 0.42113 0.57096 0.85512 1.00000
Tb7 Tb 0.92113 0.85512 0.57096 1.00000
Tb8 Tb 0.57887 0.42904 0.14488 1.00000
Dy1 Dy 0.42105 0.23887 0.52140 1.00000
Dy2 Dy 0.07895 0.47860 0.76113 1.00000
Dy3 Dy 0.57895 0.76113 0.47860 1.00000
Dy4 Dy 0.92105 0.52140 0.23887 1.00000
Y1 Y 0.74851 0.06900 0.26469 1.00000
Y2 Y 0.75149 0.73531 0.93100 1.00000
Y3 Y 0.25149 0.93100 0.73531 1.00000
Y4 Y 0.24851 0.26469 0.06900 1.00000
Y5 Y 0.25000 0.59784 0.40216 1.00000
Y6 Y 0.75000 0.40216 0.59784 1.00000
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