TbAl3Fe2
Alexandria ALEXAlex-ID: agm005705261 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_38_spg63
Tb(AlFe)6 TbAlFe2 TbAl2
2023-08-07 03:20:09.237626
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705261).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005705261
data_agm005705261
_cell_length_a 5.12870
_cell_length_b 6.26120
_cell_length_c 6.26114
_cell_angle_alpha 99.08799
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 198.53223
_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 0.25000 0.34954 0.34954 1.00000
Tb2 Tb 0.75000 0.65046 0.65046 1.00000
Al1 Al 0.75000 0.45956 0.07814 1.00000
Al2 Al 0.75000 0.07814 0.45956 1.00000
Al3 Al 0.25000 0.54044 0.92186 1.00000
Al4 Al 0.75000 0.03372 0.03372 1.00000
Al5 Al 0.25000 0.96628 0.96628 1.00000
Al6 Al 0.25000 0.92186 0.54044 1.00000
Fe1 Fe 0.50001 0.77907 0.22093 1.00000
Fe2 Fe 0.99999 0.77907 0.22093 1.00000
Fe3 Fe 0.00000 0.22093 0.77907 1.00000
Fe4 Fe 0.50000 0.22093 0.77907 1.00000
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