Tb8Pr
Alexandria ALEXAlex-ID: agm030945643 · 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
AB8_68_spg71
Tb5Pr Tb
2025-01-16 01:27:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030945643).
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
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# CIF generated by HEAS from Alexandria entry agm030945643
data_agm030945643
_cell_length_a 9.54015
_cell_length_b 9.54015
_cell_length_c 9.58784
_cell_angle_alpha 64.84187
_cell_angle_beta 115.15813
_cell_angle_gamma 158.21632
_cell_volume 291.91717
_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 0.33215 0.66785 0.49927 1.00000
Tb2 Tb 0.66785 0.33215 0.50073 1.00000
Tb3 Tb 0.85171 0.14829 0.83302 1.00000
Tb4 Tb 0.14829 0.85171 0.16698 1.00000
Tb5 Tb 0.81439 0.18561 0.16537 1.00000
Tb6 Tb 0.18561 0.81439 0.83463 1.00000
Tb7 Tb 0.51895 0.48105 0.83578 1.00000
Tb8 Tb 0.48105 0.51895 0.16422 1.00000
Pr1 Pr 0.00000 0.00000 0.50000 1.00000
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