Tb3Nd2Ru3
Alexandria ALEXAlex-ID: agm009802160 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_183_spg63
Tb4Ru3 Tb5Ru3 Nd7Ru3
2024-03-31 23:58:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009802160).
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 agm009802160
data_agm009802160
_cell_length_a 7.75693
_cell_length_b 7.75693
_cell_length_c 14.43184
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 153.22868
_cell_volume 391.13683
_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 0.04746 0.95254 0.39854 1.00000
Tb2 Tb 0.95254 0.04746 0.89854 1.00000
Tb3 Tb 0.04746 0.95254 0.10146 1.00000
Tb4 Tb 0.95254 0.04746 0.60146 1.00000
Tb5 Tb 0.41738 0.58262 0.25000 1.00000
Tb6 Tb 0.58262 0.41738 0.75000 1.00000
Nd1 Nd 0.24748 0.75252 0.88850 1.00000
Nd2 Nd 0.75252 0.24748 0.38850 1.00000
Nd3 Nd 0.24748 0.75252 0.61150 1.00000
Nd4 Nd 0.75252 0.24748 0.11150 1.00000
Ru1 Ru 0.39120 0.60880 0.44918 1.00000
Ru2 Ru 0.60880 0.39120 0.94918 1.00000
Ru3 Ru 0.39120 0.60880 0.05082 1.00000
Ru4 Ru 0.60880 0.39120 0.55082 1.00000
Ru5 Ru 0.60611 0.39389 0.25000 1.00000
Ru6 Ru 0.39389 0.60611 0.75000 1.00000
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