Tb5Dy4Y3
Alexandria ALEXAlex-ID: agm011947655 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C5_128_spg2
DyY5 Tb5Dy TbDy5
2024-12-04 17:16:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011947655).
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 agm011947655
data_agm011947655
_cell_length_a 6.21556
_cell_length_b 7.17912
_cell_length_c 9.53302
_cell_angle_alpha 112.08520
_cell_angle_beta 102.52891
_cell_angle_gamma 90.01583
_cell_volume 383.20778
_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 0.77884 0.41712 0.83417 1.00000
Tb2 Tb 0.50000 0.50000 0.50000 1.00000
Tb3 Tb 0.99980 0.75014 0.50044 1.00000
Tb4 Tb 0.00020 0.24986 0.49956 1.00000
Tb5 Tb 0.22116 0.58288 0.16583 1.00000
Dy1 Dy 0.72359 0.83326 0.16581 1.00000
Dy2 Dy 0.77875 0.91689 0.83436 1.00000
Dy3 Dy 0.22125 0.08311 0.16564 1.00000
Dy4 Dy 0.27641 0.16674 0.83419 1.00000
Y1 Y 0.27963 0.66726 0.83439 1.00000
Y2 Y 0.50000 0.00000 0.50000 1.00000
Y3 Y 0.72037 0.33274 0.16561 1.00000
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