TbAl5Ir2
Alexandria ALEXAlex-ID: agm002249302 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_53_spg71
Tb2(Al3Ir)3 AlIr
2018-09-16 18:07:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002249302).
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 agm002249302
data_agm002249302
_cell_length_a 3.87640
_cell_length_b 6.47064
_cell_length_c 6.47064
_cell_angle_alpha 70.79805
_cell_angle_beta 72.84094
_cell_angle_gamma 72.84094
_cell_volume 142.88097
_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
Ir1 Ir 0.75134 0.74895 0.74895 1.00000
Ir2 Ir 0.24866 0.25105 0.25105 1.00000
Tb1 Tb 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.00000 0.50000 0.50000 1.00000
Al2 Al 0.65335 0.53754 0.15602 1.00000
Al3 Al 0.34665 0.46246 0.84398 1.00000
Al4 Al 0.34665 0.84398 0.46246 1.00000
Al5 Al 0.65335 0.15602 0.53754 1.00000
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