Tb5Th4Sc
Alexandria ALEXAlex-ID: agm006110174 · 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
AB4C5_162_spg12
Tb2Th3 Tb2Th Sc
2023-10-18 02:43:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006110174).
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 agm006110174
data_agm006110174
_cell_length_a 3.50497
_cell_length_b 10.40679
_cell_length_c 9.17320
_cell_angle_alpha 85.31275
_cell_angle_beta 101.13151
_cell_angle_gamma 90.06091
_cell_volume 327.16752
_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 0.18872 0.39950 0.37671 1.00000
Tb2 Tb 0.14612 0.77125 0.29818 1.00000
Tb3 Tb 0.85388 0.22875 0.70182 1.00000
Tb4 Tb 0.50000 0.50000 0.00000 1.00000
Tb5 Tb 0.81128 0.60050 0.62329 1.00000
Th1 Th 0.67905 0.08310 0.35965 1.00000
Th2 Th 0.03333 0.24154 0.06874 1.00000
Th3 Th 0.32095 0.91690 0.64035 1.00000
Th4 Th 0.96667 0.75846 0.93126 1.00000
Sc1 Sc 0.50000 0.00000 0.00000 1.00000
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