DyMnSn2
Alexandria ALEXAlex-ID: agm006225366 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_205_spg55
DySn2 Mn
2024-11-01 19:48:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006225366).
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 agm006225366
data_agm006225366
_cell_length_a 9.01315
_cell_length_b 10.41492
_cell_length_c 11.43524
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1073.44003
_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
Dy1 Dy 0.24446 0.82980 0.45307 1.00000
Dy2 Dy 0.24446 0.17020 0.54693 1.00000
Dy3 Dy 0.75554 0.32980 0.04693 1.00000
Dy4 Dy 0.75554 0.67020 0.95307 1.00000
Dy5 Dy 0.75554 0.17020 0.54693 1.00000
Dy6 Dy 0.75554 0.82980 0.45307 1.00000
Dy7 Dy 0.24446 0.67020 0.95307 1.00000
Dy8 Dy 0.24446 0.32980 0.04693 1.00000
Dy9 Dy 0.00000 0.83552 0.18010 1.00000
Dy10 Dy 0.00000 0.16448 0.81990 1.00000
Dy11 Dy 0.00000 0.33552 0.31990 1.00000
Dy12 Dy 0.00000 0.66448 0.68010 1.00000
Mn1 Mn 0.24652 0.58685 0.25637 1.00000
Mn2 Mn 0.24652 0.41315 0.74363 1.00000
Mn3 Mn 0.75348 0.08685 0.24363 1.00000
Mn4 Mn 0.75348 0.91315 0.75637 1.00000
Mn5 Mn 0.75348 0.41315 0.74363 1.00000
Mn6 Mn 0.75348 0.58685 0.25637 1.00000
Mn7 Mn 0.24652 0.91315 0.75637 1.00000
Mn8 Mn 0.24652 0.08685 0.24363 1.00000
Mn9 Mn 0.24230 0.50000 0.50000 1.00000
Mn10 Mn 0.75770 0.00000 0.00000 1.00000
Mn11 Mn 0.75770 0.50000 0.50000 1.00000
Mn12 Mn 0.24230 0.00000 0.00000 1.00000
Sn1 Sn 0.33763 0.83578 0.18099 1.00000
Sn2 Sn 0.33763 0.16422 0.81901 1.00000
Sn3 Sn 0.66237 0.33578 0.31901 1.00000
Sn4 Sn 0.66237 0.66422 0.68099 1.00000
Sn5 Sn 0.66237 0.16422 0.81901 1.00000
Sn6 Sn 0.66237 0.83578 0.18099 1.00000
Sn7 Sn 0.33763 0.66422 0.68099 1.00000
Sn8 Sn 0.33763 0.33578 0.31901 1.00000
Sn9 Sn 0.50000 0.53931 0.12779 1.00000
Sn10 Sn 0.50000 0.46069 0.87221 1.00000
Sn11 Sn 0.50000 0.03931 0.37221 1.00000
Sn12 Sn 0.50000 0.96069 0.62779 1.00000
Sn13 Sn 0.00000 0.54060 0.12249 1.00000
Sn14 Sn 0.00000 0.45940 0.87751 1.00000
Sn15 Sn 0.00000 0.04060 0.37751 1.00000
Sn16 Sn 0.00000 0.95940 0.62249 1.00000
Sn17 Sn 0.50000 0.62349 0.40668 1.00000
Sn18 Sn 0.50000 0.37651 0.59332 1.00000
Sn19 Sn 0.50000 0.12349 0.09332 1.00000
Sn20 Sn 0.50000 0.87651 0.90668 1.00000
Sn21 Sn 0.00000 0.63004 0.40074 1.00000
Sn22 Sn 0.00000 0.36996 0.59926 1.00000
Sn23 Sn 0.00000 0.13004 0.09926 1.00000
Sn24 Sn 0.00000 0.86996 0.90074 1.00000
