AlPt
Alexandria ALEXAlex-ID: agm004469445 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_2260_spg70
AlPt
2022-05-29 11:24:08.388141
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004469445).
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 agm004469445
data_agm004469445
_cell_length_a 5.73523
_cell_length_b 13.36622
_cell_length_c 9.77350
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 749.22008
_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
Al1 Al 0.00000 0.00000 0.79447 1.00000
Al2 Al 0.00000 0.00000 0.20553 1.00000
Al3 Al 0.25000 0.75000 0.45553 1.00000
Al4 Al 0.25000 0.75000 0.04447 1.00000
Al5 Al 0.00000 0.50000 0.29447 1.00000
Al6 Al 0.00000 0.50000 0.70553 1.00000
Al7 Al 0.25000 0.25000 0.95553 1.00000
Al8 Al 0.25000 0.25000 0.54447 1.00000
Al9 Al 0.50000 0.00000 0.29447 1.00000
Al10 Al 0.50000 0.00000 0.70553 1.00000
Al11 Al 0.75000 0.75000 0.95553 1.00000
Al12 Al 0.75000 0.75000 0.54447 1.00000
Al13 Al 0.50000 0.50000 0.79447 1.00000
Al14 Al 0.50000 0.50000 0.20553 1.00000
Al15 Al 0.75000 0.25000 0.45553 1.00000
Al16 Al 0.75000 0.25000 0.04447 1.00000
Pt1 Pt 0.00000 0.11050 0.00000 1.00000
Pt2 Pt 0.00000 0.88950 0.00000 1.00000
Pt3 Pt 0.25000 0.63950 0.25000 1.00000
Pt4 Pt 0.25000 0.86050 0.25000 1.00000
Pt5 Pt 0.00000 0.61050 0.50000 1.00000
Pt6 Pt 0.00000 0.38950 0.50000 1.00000
Pt7 Pt 0.25000 0.13950 0.75000 1.00000
Pt8 Pt 0.25000 0.36050 0.75000 1.00000
Pt9 Pt 0.50000 0.11050 0.50000 1.00000
Pt10 Pt 0.50000 0.88950 0.50000 1.00000
Pt11 Pt 0.75000 0.63950 0.75000 1.00000
Pt12 Pt 0.75000 0.86050 0.75000 1.00000
Pt13 Pt 0.50000 0.61050 0.00000 1.00000
Pt14 Pt 0.50000 0.38950 0.00000 1.00000
Pt15 Pt 0.75000 0.13950 0.25000 1.00000
Pt16 Pt 0.75000 0.36050 0.25000 1.00000
