Ho3SnTe2
Alexandria ALEXAlex-ID: agm017147472 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_31_spg52
Ho3SnTe2
2025-01-25 06:00:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017147472).
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 agm017147472
data_agm017147472
_cell_length_a 6.16588
_cell_length_b 8.71784
_cell_length_c 13.08043
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 703.11370
_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
Ho1 Ho 0.75000 0.11783 0.58003 1.00000
Ho2 Ho 0.75000 0.61783 0.91997 1.00000
Ho3 Ho 0.75000 0.13493 0.92272 1.00000
Ho4 Ho 0.75000 0.63493 0.57728 1.00000
Ho5 Ho 0.75000 0.12689 0.25105 1.00000
Ho6 Ho 0.75000 0.62689 0.24895 1.00000
Ho7 Ho 0.25000 0.37311 0.75105 1.00000
Ho8 Ho 0.25000 0.87311 0.74895 1.00000
Ho9 Ho 0.25000 0.36507 0.42272 1.00000
Ho10 Ho 0.25000 0.86507 0.07728 1.00000
Ho11 Ho 0.25000 0.38217 0.08003 1.00000
Ho12 Ho 0.25000 0.88217 0.41997 1.00000
Sn1 Sn 0.75000 0.37447 0.08679 1.00000
Sn2 Sn 0.75000 0.87447 0.41321 1.00000
Sn3 Sn 0.25000 0.12553 0.58679 1.00000
Sn4 Sn 0.25000 0.62553 0.91321 1.00000
Te1 Te 0.75000 0.37615 0.74609 1.00000
Te2 Te 0.75000 0.87615 0.75391 1.00000
Te3 Te 0.75000 0.37768 0.41725 1.00000
Te4 Te 0.75000 0.87768 0.08275 1.00000
Te5 Te 0.25000 0.12232 0.91725 1.00000
Te6 Te 0.25000 0.62232 0.58275 1.00000
Te7 Te 0.25000 0.12385 0.24609 1.00000
Te8 Te 0.25000 0.62385 0.25391 1.00000
