Tb7Pm4Sc
Alexandria ALEXAlex-ID: agm003668098 · 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
AB4C7_103_spg12
Tb Tb5Pm3 Sc
2022-04-27 23:00:57.373393
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003668098).
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 agm003668098
data_agm003668098
_cell_length_a 5.35255
_cell_length_b 13.31095
_cell_length_c 6.30389
_cell_angle_alpha 94.60744
_cell_angle_beta 64.87821
_cell_angle_gamma 78.40115
_cell_volume 391.33486
_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 0.83487 0.89785 0.43241 1.00000
Tb2 Tb 0.16513 0.10215 0.56759 1.00000
Tb3 Tb 0.95893 0.62907 0.45307 1.00000
Tb4 Tb 0.04107 0.37093 0.54693 1.00000
Tb5 Tb 0.32678 0.53474 0.81170 1.00000
Tb6 Tb 0.50000 0.00000 0.00000 1.00000
Tb7 Tb 0.67322 0.46526 0.18830 1.00000
Pm1 Pm 0.74668 0.21698 0.28966 1.00000
Pm2 Pm 0.25332 0.78302 0.71034 1.00000
Pm3 Pm 0.58604 0.73621 0.09171 1.00000
Pm4 Pm 0.41396 0.26379 0.90829 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
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