Sc3Cu2Pt
Alexandria ALEXAlex-ID: agm017447327 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2128_spg14
Sc3Cu2Pt
2024-11-08 22:02:26.526185
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017447327).
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 agm017447327
data_agm017447327
_cell_length_a 9.24179
_cell_length_b 5.67972
_cell_length_c 8.01696
_cell_angle_alpha 89.92703
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 420.81643
_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 0.12535 0.16633 0.91649 1.00000
Sc2 Sc 0.62535 0.83367 0.58351 1.00000
Sc3 Sc 0.12393 0.83249 0.58379 1.00000
Sc4 Sc 0.62393 0.16751 0.91621 1.00000
Sc5 Sc 0.12461 0.49968 0.25078 1.00000
Sc6 Sc 0.62461 0.50032 0.24922 1.00000
Sc7 Sc 0.37539 0.49968 0.75078 1.00000
Sc8 Sc 0.87539 0.50032 0.74922 1.00000
Sc9 Sc 0.37607 0.83249 0.08379 1.00000
Sc10 Sc 0.87607 0.16751 0.41621 1.00000
Sc11 Sc 0.37465 0.16633 0.41649 1.00000
Sc12 Sc 0.87465 0.83367 0.08351 1.00000
Cu1 Cu 0.37377 0.00212 0.74764 1.00000
Cu2 Cu 0.87377 0.99788 0.75236 1.00000
Cu3 Cu 0.37502 0.32711 0.08485 1.00000
Cu4 Cu 0.87502 0.67289 0.41515 1.00000
Cu5 Cu 0.12498 0.32711 0.58485 1.00000
Cu6 Cu 0.62498 0.67289 0.91515 1.00000
Cu7 Cu 0.12623 0.00212 0.24764 1.00000
Cu8 Cu 0.62623 0.99788 0.25236 1.00000
Pt1 Pt 0.37217 0.66843 0.41874 1.00000
Pt2 Pt 0.87217 0.33157 0.08126 1.00000
Pt3 Pt 0.12783 0.66843 0.91874 1.00000
Pt4 Pt 0.62783 0.33157 0.58126 1.00000
