ScMnSn2Te5
Alexandria ALEXAlex-ID: agm005155465 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_279_spg36
Sc2Te3 MnTe2 Mn SnTe
2023-01-19 13:53:58.694471
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005155465).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005155465
data_agm005155465
_cell_length_a 4.21505
_cell_length_b 9.99009
_cell_length_c 14.05139
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.17871
_cell_volume 578.37008
_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
Sc1 Sc 0.80554 0.61109 0.52168 1.00000
Sc2 Sc 0.19446 0.38891 0.02168 1.00000
Mn1 Mn 0.57487 0.14974 0.92211 1.00000
Mn2 Mn 0.42513 0.85026 0.42211 1.00000
Sn1 Sn 0.92935 0.85870 0.86134 1.00000
Sn2 Sn 0.16981 0.33961 0.67479 1.00000
Sn3 Sn 0.07065 0.14130 0.36134 1.00000
Sn4 Sn 0.83019 0.66039 0.17479 1.00000
Te1 Te 0.34177 0.68353 0.02311 1.00000
Te2 Te 0.70315 0.40629 0.87162 1.00000
Te3 Te 0.50891 0.01782 0.75882 1.00000
Te4 Te 0.31976 0.63952 0.66513 1.00000
Te5 Te 0.96562 0.93125 0.52537 1.00000
Te6 Te 0.65823 0.31647 0.52311 1.00000
Te7 Te 0.29685 0.59371 0.37162 1.00000
Te8 Te 0.49109 0.98218 0.25882 1.00000
Te9 Te 0.68024 0.36048 0.16513 1.00000
Te10 Te 0.03438 0.06875 0.02537 1.00000
获取直接链接