DySc2Pt3
Alexandria ALEXAlex-ID: agm034137793 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2913_spg63
ScPt DyPt
2025-04-14 07:15:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034137793).
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 agm034137793
data_agm034137793
_cell_length_a 14.87006
_cell_length_b 14.87006
_cell_length_c 4.73145
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 153.98487
_cell_volume 458.87786
_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 0.54224 0.45776 0.75000 1.00000
Dy2 Dy 0.45776 0.54224 0.25000 1.00000
Dy3 Dy 0.28975 0.71025 0.25000 1.00000
Dy4 Dy 0.71025 0.28975 0.75000 1.00000
Sc1 Sc 0.12384 0.87616 0.25000 1.00000
Sc2 Sc 0.04098 0.95902 0.75000 1.00000
Sc3 Sc 0.95902 0.04098 0.25000 1.00000
Sc4 Sc 0.87616 0.12384 0.75000 1.00000
Sc5 Sc 0.37520 0.62480 0.75000 1.00000
Sc6 Sc 0.79350 0.20650 0.25000 1.00000
Sc7 Sc 0.20650 0.79350 0.75000 1.00000
Sc8 Sc 0.62480 0.37520 0.25000 1.00000
Pt1 Pt 0.81056 0.72017 0.25000 1.00000
Pt2 Pt 0.27983 0.18944 0.25000 1.00000
Pt3 Pt 0.18944 0.27983 0.75000 1.00000
Pt4 Pt 0.72017 0.81056 0.75000 1.00000
Pt5 Pt 0.63206 0.88233 0.25000 1.00000
Pt6 Pt 0.11767 0.36794 0.25000 1.00000
Pt7 Pt 0.55981 0.96254 0.75000 1.00000
Pt8 Pt 0.03746 0.44019 0.75000 1.00000
Pt9 Pt 0.44019 0.03746 0.25000 1.00000
Pt10 Pt 0.96254 0.55981 0.25000 1.00000
Pt11 Pt 0.36794 0.11767 0.75000 1.00000
Pt12 Pt 0.88233 0.63206 0.75000 1.00000
