Tb12PrNd5
Alexandria ALEXAlex-ID: agm064313453 · 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
AB5C12_18_spg12
Tb5Pr Tb5Nd3 Tb4PrNd3
2025-02-06 10:24:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm064313453).
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 agm064313453
data_agm064313453
_cell_length_a 6.25844
_cell_length_b 6.25844
_cell_length_c 17.63488
_cell_angle_alpha 86.61369
_cell_angle_beta 93.38631
_cell_angle_gamma 60.02081
_cell_volume 594.12233
_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 0.11036 0.88964 0.83099 1.00000
Tb2 Tb 0.88964 0.11036 0.16901 1.00000
Tb3 Tb 0.27742 0.72258 0.33234 1.00000
Tb4 Tb 0.72258 0.27742 0.66766 1.00000
Tb5 Tb 0.94385 0.38971 0.33234 1.00000
Tb6 Tb 0.38971 0.94385 0.66766 1.00000
Tb7 Tb 0.61029 0.05615 0.33234 1.00000
Tb8 Tb 0.05615 0.61029 0.66766 1.00000
Tb9 Tb 0.22295 0.44370 0.16899 1.00000
Tb10 Tb 0.55630 0.77705 0.16899 1.00000
Tb11 Tb 0.44370 0.22295 0.83101 1.00000
Tb12 Tb 0.77705 0.55630 0.83101 1.00000
Pr1 Pr 0.00000 0.00000 0.50000 1.00000
Nd1 Nd 0.50000 0.50000 0.00000 1.00000
Nd2 Nd 0.16658 0.16658 0.00000 1.00000
Nd3 Nd 0.83342 0.83342 0.00000 1.00000
Nd4 Nd 0.66667 0.66667 0.50000 1.00000
Nd5 Nd 0.33333 0.33333 0.50000 1.00000
获取直接链接