Tb5CeSn6
Alexandria ALEXAlex-ID: agm003676466 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_69_spg12
CeSn2 Tb3(CeSn2)2 TbSn
2022-04-10 03:53:43.015002
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003676466).
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 agm003676466
data_agm003676466
_cell_length_a 8.41279
_cell_length_b 6.13650
_cell_length_c 8.35545
_cell_angle_alpha 68.45599
_cell_angle_beta 79.03488
_cell_angle_gamma 58.80299
_cell_volume 343.19602
_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 0.50000 0.15842 0.68315 1.00000
Tb2 Tb 1.00000 0.32686 0.34627 1.00000
Tb3 Tb 0.50000 0.50000 0.00000 1.00000
Tb4 Tb 0.00000 0.67314 0.65373 1.00000
Tb5 Tb 0.50000 0.84158 0.31685 1.00000
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.73687 0.09964 0.33797 1.00000
Sn2 Sn 0.26313 0.56239 0.33797 1.00000
Sn3 Sn 0.23303 0.27797 0.00000 1.00000
Sn4 Sn 0.76697 0.72203 1.00000 1.00000
Sn5 Sn 0.73687 0.43761 0.66203 1.00000
Sn6 Sn 0.26313 0.90036 0.66203 1.00000
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