TbCoSn2
Alexandria ALEXAlex-ID: agm005691358 · 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
ABC2_201_spg71
Tb5(Co2Sn5)2 Co
2023-07-11 23:00:45.867673
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691358).
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 agm005691358
data_agm005691358
_cell_length_a 4.45012
_cell_length_b 9.36653
_cell_length_c 9.85727
_cell_angle_alpha 118.36627
_cell_angle_beta 103.04571
_cell_angle_gamma 90.00001
_cell_volume 349.43992
_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 0.70924 0.70924 0.41848 1.00000
Tb2 Tb 0.50000 0.26967 0.00000 1.00000
Tb3 Tb 0.50000 0.73033 1.00000 1.00000
Tb4 Tb 0.29076 0.29076 0.58152 1.00000
Co1 Co 0.85433 0.60244 0.70866 1.00000
Co2 Co 0.14567 0.39756 0.29134 1.00000
Co3 Co 0.14567 0.89378 0.29134 1.00000
Co4 Co 0.85433 0.10622 0.70866 1.00000
Sn1 Sn 0.91664 0.41664 0.83328 1.00000
Sn2 Sn 0.69734 0.36316 0.39467 1.00000
Sn3 Sn 0.69734 0.03151 0.39467 1.00000
Sn4 Sn 0.30266 0.63684 0.60533 1.00000
Sn5 Sn 0.08605 0.08605 0.17211 1.00000
Sn6 Sn 0.08336 0.58336 0.16672 1.00000
Sn7 Sn 0.91395 0.91395 0.82789 1.00000
Sn8 Sn 0.30266 0.96849 0.60533 1.00000
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