ScSiPt2
Alexandria ALEXAlex-ID: agm069235331 · 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
ScSiPt2
2025-01-25 05:25:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069235331).
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 agm069235331
data_agm069235331
_cell_length_a 5.26129
_cell_length_b 6.99003
_cell_length_c 14.09840
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 518.48999
_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
Sc1 Sc 0.97883 0.25000 0.86489 1.00000
Sc2 Sc 0.47883 0.75000 0.63511 1.00000
Sc3 Sc 0.02117 0.75000 0.13511 1.00000
Sc4 Sc 0.52117 0.25000 0.36489 1.00000
Sc5 Sc 0.26642 0.25000 0.61142 1.00000
Sc6 Sc 0.76642 0.75000 0.88858 1.00000
Sc7 Sc 0.73358 0.75000 0.38858 1.00000
Sc8 Sc 0.23358 0.25000 0.11142 1.00000
Si1 Si 0.75653 0.25000 0.68203 1.00000
Si2 Si 0.25653 0.75000 0.81797 1.00000
Si3 Si 0.24347 0.75000 0.31797 1.00000
Si4 Si 0.74347 0.25000 0.18203 1.00000
Si5 Si 0.47439 0.25000 0.93177 1.00000
Si6 Si 0.97439 0.75000 0.56823 1.00000
Si7 Si 0.52561 0.75000 0.06823 1.00000
Si8 Si 0.02561 0.25000 0.43177 1.00000
Pt1 Pt 0.47226 0.04993 0.78430 1.00000
Pt2 Pt 0.97226 0.95007 0.71570 1.00000
Pt3 Pt 0.52774 0.54993 0.21570 1.00000
Pt4 Pt 0.02774 0.45007 0.28430 1.00000
Pt5 Pt 0.52774 0.95007 0.21570 1.00000
Pt6 Pt 0.02774 0.04993 0.28430 1.00000
Pt7 Pt 0.47226 0.45007 0.78430 1.00000
Pt8 Pt 0.97226 0.54993 0.71570 1.00000
Pt9 Pt 0.24276 0.54785 0.96740 1.00000
Pt10 Pt 0.74276 0.45215 0.53260 1.00000
Pt11 Pt 0.75724 0.04785 0.03260 1.00000
Pt12 Pt 0.25724 0.95215 0.46740 1.00000
Pt13 Pt 0.75724 0.45215 0.03260 1.00000
Pt14 Pt 0.25724 0.54785 0.46740 1.00000
Pt15 Pt 0.24276 0.95215 0.96740 1.00000
Pt16 Pt 0.74276 0.04785 0.53260 1.00000
