Li2Tb(SnTe2)3
Alexandria ALEXAlex-ID: agm004635361 · 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
AB2C3D6_175_spg12
LiTbTe2 TbTe3 Li2Te SnTe
2022-06-27 18:04:19.157485
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004635361).
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 agm004635361
data_agm004635361
_cell_length_a 7.57650
_cell_length_b 7.57650
_cell_length_c 7.74464
_cell_angle_alpha 99.37512
_cell_angle_beta 99.37512
_cell_angle_gamma 120.07636
_cell_volume 363.67170
_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
Li1 Li 0.32737 0.67263 0.00000 1.00000
Li2 Li 0.67263 0.32737 0.00000 1.00000
Tb1 Tb 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.16146 0.83854 0.50000 1.00000
Sn2 Sn 0.83854 0.16146 0.50000 1.00000
Sn3 Sn 0.50000 0.50000 0.50000 1.00000
Te1 Te 0.91959 0.58616 0.76184 1.00000
Te2 Te 0.74548 0.74548 0.24094 1.00000
Te3 Te 0.08041 0.41384 0.23816 1.00000
Te4 Te 0.58616 0.91959 0.76184 1.00000
Te5 Te 0.25452 0.25452 0.75906 1.00000
Te6 Te 0.41384 0.08041 0.23816 1.00000
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