Tb2Nd2Y2Er
Alexandria ALEXAlex-ID: agm024749385 · 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
AB2C2D2_74_spg12
Tb2NdEr6 Tb5Y Tb5Nd3 NdY2
2025-05-23 19:56:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024749385).
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 agm024749385
data_agm024749385
_cell_length_a 6.20642
_cell_length_b 6.20642
_cell_length_c 8.03528
_cell_angle_alpha 82.60544
_cell_angle_beta 97.39456
_cell_angle_gamma 131.60685
_cell_volume 229.11579
_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 0.85686 0.14314 0.07257 1.00000
Tb2 Tb 0.14314 0.85686 0.92743 1.00000
Nd1 Nd 0.28612 0.71388 0.35674 1.00000
Nd2 Nd 0.71388 0.28612 0.64326 1.00000
Y1 Y 0.42880 0.57120 0.78775 1.00000
Y2 Y 0.57120 0.42880 0.21225 1.00000
Er1 Er 0.00000 0.00000 0.50000 1.00000
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