SmHoTeS
Alexandria ALEXAlex-ID: agm005190729 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD_113_spg8
Ho2TeS Sm2TeS
2022-08-07 15:49:27.743119
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005190729).
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
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# CIF generated by HEAS from Alexandria entry agm005190729
data_agm005190729
_cell_length_a 4.06007
_cell_length_b 4.06066
_cell_length_c 7.54292
_cell_angle_alpha 90.00060
_cell_angle_beta 105.61129
_cell_angle_gamma 120.00509
_cell_volume 102.35848
_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
Sm1 Sm 0.94305 0.36950 0.32775 1.00000
Ho1 Ho 0.33175 0.56383 0.91098 1.00000
Te1 Te 0.47655 0.13624 0.62794 1.00000
S1 S 0.12655 0.96124 0.10299 1.00000
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