Tb4Dy5Ho2
Alexandria ALEXAlex-ID: agm005652240 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_290_spg12
Tb2DyHo6 Tb2Ho TbDy5
2023-06-22 17:07:10.723512
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652240).
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 agm005652240
data_agm005652240
_cell_length_a 3.63474
_cell_length_b 9.88480
_cell_length_c 12.61130
_cell_angle_alpha 123.96604
_cell_angle_beta 81.73899
_cell_angle_gamma 111.57787
_cell_volume 348.33384
_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 0.75398 0.42612 0.34345 1.00000
Tb2 Tb 0.32551 0.35285 0.05457 1.00000
Tb3 Tb 0.24602 0.57388 0.65655 1.00000
Tb4 Tb 0.67449 0.64715 0.94543 1.00000
Dy1 Dy 0.92121 0.03928 0.23659 1.00000
Dy2 Dy 0.07879 0.96072 0.76341 1.00000
Dy3 Dy 0.57860 0.82779 0.49744 1.00000
Dy4 Dy 0.50000 0.00000 0.00000 1.00000
Dy5 Dy 0.42140 0.17221 0.50256 1.00000
Ho1 Ho 0.89139 0.27751 0.77224 1.00000
Ho2 Ho 0.10861 0.72249 0.22776 1.00000
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