Tb5(NdTh2)2
Alexandria ALEXAlex-ID: agm005653380 · 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_175_spg12
Tb5Nd3 Tb2Th3 Nd
2023-06-22 08:25:15.175921
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653380).
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 agm005653380
data_agm005653380
_cell_length_a 3.51625
_cell_length_b 8.62817
_cell_length_c 12.29104
_cell_angle_alpha 94.45952
_cell_angle_beta 98.22336
_cell_angle_gamma 89.99892
_cell_volume 367.92077
_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 0.87076 0.95781 0.74152 1.00000
Tb2 Tb 0.12924 0.04219 0.25848 1.00000
Tb3 Tb 0.81627 0.52877 0.63254 1.00000
Tb4 Tb 0.50000 0.00000 0.00000 1.00000
Tb5 Tb 0.18373 0.47123 0.36746 1.00000
Nd1 Nd 0.27412 0.17614 0.54825 1.00000
Nd2 Nd 0.72588 0.82386 0.45175 1.00000
Th1 Th 0.41544 0.31495 0.83088 1.00000
Th2 Th 0.04393 0.35087 0.08790 1.00000
Th3 Th 0.58456 0.68505 0.16912 1.00000
Th4 Th 0.95607 0.64913 0.91210 1.00000
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