SnSb4Te7
Alexandria ALEXAlex-ID: agm002189181 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C7_4_spg164
Sn(SbTe2)2 Sb2Te3
2018-06-18 00:57:19
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002189181).
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 agm002189181
data_agm002189181
_cell_length_a 4.36790
_cell_length_b 4.36790
_cell_length_c 24.41807
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 403.44805
_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
Sb1 Sb 0.33333 0.66667 0.08076 1.00000
Sb2 Sb 0.66667 0.33333 0.66006 1.00000
Sb3 Sb 0.66667 0.33333 0.91924 1.00000
Sb4 Sb 0.33333 0.66667 0.33994 1.00000
Te1 Te 0.66667 0.33333 0.15020 1.00000
Te2 Te 0.33333 0.66667 0.84980 1.00000
Te3 Te 0.00000 0.00000 0.27115 1.00000
Te4 Te 0.33333 0.66667 0.57863 1.00000
Te5 Te 0.66667 0.33333 0.42137 1.00000
Te6 Te 0.00000 0.00000 0.00000 1.00000
Te7 Te 0.00000 0.00000 0.72885 1.00000
Sn1 Sn 0.00000 0.00000 0.50000 1.00000
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