Y3Al3Ir2Pt
Alexandria ALEXAlex-ID: agm034406461 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D3_12_spg6
YAlPt YAlIr
2025-01-03 23:01:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034406461).
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 agm034406461
data_agm034406461
_cell_length_a 6.87246
_cell_length_b 4.33521
_cell_length_c 23.59434
_cell_angle_alpha 90.00000
_cell_angle_beta 89.95458
_cell_angle_gamma 90.00000
_cell_volume 702.95948
_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
Y1 Y 0.52728 0.00000 0.93956 1.00000
Y2 Y 0.52803 0.00000 0.60510 1.00000
Y3 Y 0.52734 0.00000 0.27219 1.00000
Y4 Y 0.02699 0.00000 0.89477 1.00000
Y5 Y 0.03034 0.00000 0.55967 1.00000
Y6 Y 0.02902 0.00000 0.22688 1.00000
Y7 Y 0.46817 0.50000 0.72612 1.00000
Y8 Y 0.46621 0.50000 0.39381 1.00000
Y9 Y 0.46431 0.50000 0.06053 1.00000
Y10 Y 0.96717 0.50000 0.77390 1.00000
Y11 Y 0.97351 0.50000 0.44053 1.00000
Y12 Y 0.97149 0.50000 0.10751 1.00000
Al1 Al 0.64360 0.00000 0.81339 1.00000
Al2 Al 0.64220 0.00000 0.47962 1.00000
Al3 Al 0.64012 0.00000 0.14652 1.00000
Al4 Al 0.14381 0.00000 0.68656 1.00000
Al5 Al 0.14670 0.00000 0.35415 1.00000
Al6 Al 0.14535 0.00000 0.02112 1.00000
Al7 Al 0.35930 0.50000 0.85495 1.00000
Al8 Al 0.35865 0.50000 0.52081 1.00000
Al9 Al 0.35696 0.50000 0.18757 1.00000
Al10 Al 0.85877 0.50000 0.97867 1.00000
Al11 Al 0.85996 0.50000 0.64467 1.00000
Al12 Al 0.85901 0.50000 0.31153 1.00000
Ir1 Ir 0.27206 0.00000 0.46012 1.00000
Ir2 Ir 0.26984 0.00000 0.12703 1.00000
Ir3 Ir 0.22873 0.50000 0.96034 1.00000
Ir4 Ir 0.22981 0.50000 0.62770 1.00000
Ir5 Ir 0.22883 0.50000 0.29415 1.00000
Ir6 Ir 0.72852 0.50000 0.87272 1.00000
Ir7 Ir 0.73001 0.50000 0.53923 1.00000
Ir8 Ir 0.72761 0.50000 0.20623 1.00000
Pt1 Pt 0.77220 0.00000 0.70646 1.00000
Pt2 Pt 0.77389 0.00000 0.37266 1.00000
Pt3 Pt 0.77258 0.00000 0.03971 1.00000
Pt4 Pt 0.27163 0.00000 0.79352 1.00000
