TbMnAl
Alexandria ALEXAlex-ID: agm005484693 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_63_spg74
Mn24Al5 Tb2Al TbAl
2023-03-18 04:55:53.335665
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005484693).
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 agm005484693
data_agm005484693
_cell_length_a 5.44754
_cell_length_b 5.44754
_cell_length_c 5.44754
_cell_angle_alpha 119.62991
_cell_angle_beta 118.81573
_cell_angle_gamma 91.35288
_cell_volume 115.61165
_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 0.13105 0.88105 0.25000 1.00000
Tb2 Tb 0.86895 0.11895 0.75000 1.00000
Mn1 Mn 0.50000 0.00000 0.00000 1.00000
Mn2 Mn 0.50000 0.50000 0.50000 1.00000
Al1 Al 0.00000 0.50000 0.50000 1.00000
Al2 Al 0.50000 0.50000 0.00000 1.00000
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