Tb4Nd2DyEr2
Alexandria ALEXAlex-ID: agm034807911 · 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
AB2C2D4_499_spg12
Tb5Dy Tb5Nd3 Tb2NdEr6 TbDy5
2025-01-05 19:05:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034807911).
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 agm034807911
data_agm034807911
_cell_length_a 9.52312
_cell_length_b 9.52312
_cell_length_c 9.57037
_cell_angle_alpha 64.85174
_cell_angle_beta 115.14826
_cell_angle_gamma 158.20438
_cell_volume 290.52072
_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 0.81444 0.18556 0.66494 1.00000
Tb2 Tb 0.18556 0.81444 0.33506 1.00000
Tb3 Tb 0.51891 0.48109 0.33524 1.00000
Tb4 Tb 0.48109 0.51891 0.66476 1.00000
Nd1 Nd 0.33417 0.66583 0.00211 1.00000
Nd2 Nd 0.66583 0.33417 0.99789 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.85264 0.14736 0.33661 1.00000
Er2 Er 0.14736 0.85264 0.66339 1.00000
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