Tb5Ga4(Sn2Au)2
Alexandria ALEXAlex-ID: agm009586331 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C4D5_0_spg38
TbSn2 TbGa2 TbSnAu
2024-03-25 21:38:24.533589
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009586331).
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 agm009586331
data_agm009586331
_cell_length_a 20.34927
_cell_length_b 20.34927
_cell_length_c 3.66440
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 166.75603
_cell_volume 347.63347
_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 0.00247 0.99753 0.00000 1.00000
Tb2 Tb 0.59817 0.40183 0.00000 1.00000
Tb3 Tb 0.19811 0.80189 0.00000 1.00000
Tb4 Tb 0.79973 0.20027 0.00000 1.00000
Tb5 Tb 0.40137 0.59863 0.00000 1.00000
Ga1 Ga 0.26540 0.73460 0.50000 1.00000
Ga2 Ga 0.86800 0.13200 0.50000 1.00000
Ga3 Ga 0.47160 0.52840 0.50000 1.00000
Ga4 Ga 0.53451 0.46549 0.50000 1.00000
Sn1 Sn 0.13099 0.86901 0.50000 1.00000
Sn2 Sn 0.73259 0.26741 0.50000 1.00000
Sn3 Sn 0.33332 0.66668 0.50000 1.00000
Sn4 Sn 0.93573 0.06427 0.50000 1.00000
Au1 Au 0.06327 0.93673 0.50000 1.00000
Au2 Au 0.66524 0.33476 0.50000 1.00000
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