DySiPt2
Alexandria ALEXAlex-ID: agm069914871 · 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
ABC2_547_spg62
DySiPt2
2024-12-04 13:09:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069914871).
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 agm069914871
data_agm069914871
_cell_length_a 5.45677
_cell_length_b 7.02928
_cell_length_c 14.67409
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 562.85639
_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 0.98132 0.75000 0.36410 1.00000
Dy2 Dy 0.48132 0.25000 0.13590 1.00000
Dy3 Dy 0.01868 0.25000 0.63590 1.00000
Dy4 Dy 0.51868 0.75000 0.86410 1.00000
Dy5 Dy 0.25634 0.75000 0.11133 1.00000
Dy6 Dy 0.75634 0.25000 0.38867 1.00000
Dy7 Dy 0.74366 0.25000 0.88867 1.00000
Dy8 Dy 0.24366 0.75000 0.61133 1.00000
Si1 Si 0.74617 0.75000 0.18363 1.00000
Si2 Si 0.24617 0.25000 0.31637 1.00000
Si3 Si 0.25383 0.25000 0.81637 1.00000
Si4 Si 0.75383 0.75000 0.68363 1.00000
Si5 Si 0.47801 0.75000 0.43183 1.00000
Si6 Si 0.97801 0.25000 0.06817 1.00000
Si7 Si 0.52199 0.25000 0.56817 1.00000
Si8 Si 0.02199 0.75000 0.93183 1.00000
Pt1 Pt 0.46345 0.55135 0.28562 1.00000
Pt2 Pt 0.96345 0.44865 0.21438 1.00000
Pt3 Pt 0.53655 0.05135 0.71438 1.00000
Pt4 Pt 0.03655 0.94865 0.78562 1.00000
Pt5 Pt 0.53655 0.44865 0.71438 1.00000
Pt6 Pt 0.03655 0.55135 0.78562 1.00000
Pt7 Pt 0.46345 0.94865 0.28562 1.00000
Pt8 Pt 0.96345 0.05135 0.21438 1.00000
Pt9 Pt 0.24965 0.04928 0.46591 1.00000
Pt10 Pt 0.74965 0.95072 0.03409 1.00000
Pt11 Pt 0.75035 0.54928 0.53409 1.00000
Pt12 Pt 0.25035 0.45072 0.96591 1.00000
Pt13 Pt 0.75035 0.95072 0.53409 1.00000
Pt14 Pt 0.25035 0.04928 0.96591 1.00000
Pt15 Pt 0.24965 0.45072 0.46591 1.00000
Pt16 Pt 0.74965 0.54928 0.03409 1.00000
