Tb5Nd6Dy
Alexandria ALEXAlex-ID: agm003678885 · 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
AB5C6_52_spg12
TbNd3Dy4 Tb5Nd3 Nd
2022-04-10 00:03:45.375881
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003678885).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003678885
data_agm003678885
_cell_length_a 11.91036
_cell_length_b 6.28481
_cell_length_c 6.28419
_cell_angle_alpha 59.99672
_cell_angle_beta 84.96795
_cell_angle_gamma 79.89756
_cell_volume 401.04806
_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 0.50000 0.16668 0.66663 1.00000
Tb2 Tb 1.00000 0.33335 0.33331 1.00000
Tb3 Tb 0.50000 0.50000 0.00000 1.00000
Tb4 Tb 0.00000 0.66665 0.66669 1.00000
Tb5 Tb 0.50000 0.83332 0.33337 1.00000
Nd1 Nd 0.75024 0.08334 0.33317 1.00000
Nd2 Nd 0.24976 0.58348 0.33317 1.00000
Nd3 Nd 0.24985 0.24977 1.00000 1.00000
Nd4 Nd 0.75015 0.75023 0.00000 1.00000
Nd5 Nd 0.75024 0.41652 0.66683 1.00000
Nd6 Nd 0.24976 0.91666 0.66683 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
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