Sm5(YTm6)2
Alexandria ALEXAlex-ID: agm005654973 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C12_344_spg2
Sm2Y YTm2 SmTm2
2023-06-26 13:47:54.838333
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654973).
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 agm005654973
data_agm005654973
_cell_length_a 6.11880
_cell_length_b 10.59545
_cell_length_c 12.72696
_cell_angle_alpha 133.80236
_cell_angle_beta 94.68933
_cell_angle_gamma 84.38129
_cell_volume 592.53212
_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 0.26133 0.47472 0.55369 1.00000
Sm2 Sm 0.15846 0.68478 0.13178 1.00000
Sm3 Sm 0.00000 0.00000 0.50000 1.00000
Sm4 Sm 0.84154 0.31522 0.86822 1.00000
Sm5 Sm 0.73867 0.52528 0.44631 1.00000
Y1 Y 0.57993 0.84317 0.81671 1.00000
Y2 Y 0.42007 0.15683 0.18329 1.00000
Tm1 Tm 0.94615 0.10358 0.28782 1.00000
Tm2 Tm 0.10333 0.79006 0.92185 1.00000
Tm3 Tm 0.63093 0.73658 0.02668 1.00000
Tm4 Tm 0.21145 0.57931 0.34187 1.00000
Tm5 Tm 0.68357 0.63170 0.23695 1.00000
Tm6 Tm 0.52601 0.94810 0.60542 1.00000
Tm7 Tm 0.47399 0.05190 0.39458 1.00000
Tm8 Tm 0.78855 0.42069 0.65813 1.00000
Tm9 Tm 0.31643 0.36830 0.76305 1.00000
Tm10 Tm 0.89667 0.20994 0.07815 1.00000
Tm11 Tm 0.36907 0.26342 0.97332 1.00000
Tm12 Tm 0.05385 0.89642 0.71218 1.00000
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