Sm5DyTe6
Alexandria ALEXAlex-ID: agm003677047 · 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
AB5C6_83_spg12
DyTe SmTe
2022-04-10 04:15:05.540268
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003677047).
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 agm003677047
data_agm003677047
_cell_length_a 7.65282
_cell_length_b 7.66930
_cell_length_c 7.68821
_cell_angle_alpha 60.08136
_cell_angle_beta 80.37461
_cell_angle_gamma 70.41311
_cell_volume 368.46923
_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 0.50000 0.17243 0.65514 1.00000
Sm2 Sm 0.00000 0.33233 0.33534 1.00000
Sm3 Sm 0.50000 0.50000 0.00000 1.00000
Sm4 Sm 0.00000 0.66767 0.66466 1.00000
Sm5 Sm 0.50000 0.82757 0.34486 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.75392 0.08236 0.32677 1.00000
Te2 Te 0.24608 0.59087 0.32677 1.00000
Te3 Te 0.25037 0.24402 1.00000 1.00000
Te4 Te 0.74963 0.75598 0.00000 1.00000
Te5 Te 0.75392 0.40913 0.67323 1.00000
Te6 Te 0.24608 0.91764 0.67323 1.00000
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