Ho3Al3IrPt2
Alexandria ALEXAlex-ID: agm034268276 · 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
Ho3Al3IrPt2
2024-12-25 16:42:25
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034268276).
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 agm034268276
data_agm034268276
_cell_length_a 6.80154
_cell_length_b 4.38634
_cell_length_c 23.42135
_cell_angle_alpha 90.00000
_cell_angle_beta 90.02199
_cell_angle_gamma 90.00000
_cell_volume 698.75005
_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
Ho1 Ho 0.53269 0.00000 0.94023 1.00000
Ho2 Ho 0.53443 0.00000 0.60772 1.00000
Ho3 Ho 0.53446 0.00000 0.27408 1.00000
Ho4 Ho 0.03271 0.00000 0.89222 1.00000
Ho5 Ho 0.03156 0.00000 0.56063 1.00000
Ho6 Ho 0.03096 0.00000 0.22679 1.00000
Ho7 Ho 0.47091 0.50000 0.72735 1.00000
Ho8 Ho 0.47476 0.50000 0.39325 1.00000
Ho9 Ho 0.47375 0.50000 0.05973 1.00000
Ho10 Ho 0.97100 0.50000 0.77280 1.00000
Ho11 Ho 0.96706 0.50000 0.43916 1.00000
Ho12 Ho 0.96584 0.50000 0.10558 1.00000
Al1 Al 0.63901 0.00000 0.81174 1.00000
Al2 Al 0.64424 0.00000 0.47900 1.00000
Al3 Al 0.64291 0.00000 0.14568 1.00000
Al4 Al 0.13978 0.00000 0.68832 1.00000
Al5 Al 0.13905 0.00000 0.35394 1.00000
Al6 Al 0.13719 0.00000 0.02046 1.00000
Al7 Al 0.35546 0.50000 0.85323 1.00000
Al8 Al 0.35940 0.50000 0.52025 1.00000
Al9 Al 0.35788 0.50000 0.18701 1.00000
Al10 Al 0.85632 0.50000 0.97990 1.00000
Al11 Al 0.85675 0.50000 0.64708 1.00000
Al12 Al 0.85700 0.50000 0.31354 1.00000
Ir1 Ir 0.76748 0.00000 0.70609 1.00000
Ir2 Ir 0.76743 0.00000 0.37315 1.00000
Ir3 Ir 0.76569 0.00000 0.04001 1.00000
Ir4 Ir 0.26686 0.00000 0.79384 1.00000
Pt1 Pt 0.26984 0.00000 0.46022 1.00000
Pt2 Pt 0.26889 0.00000 0.12701 1.00000
Pt3 Pt 0.23052 0.50000 0.96027 1.00000
Pt4 Pt 0.23191 0.50000 0.62599 1.00000
Pt5 Pt 0.23168 0.50000 0.29328 1.00000
Pt6 Pt 0.73062 0.50000 0.87353 1.00000
Pt7 Pt 0.73244 0.50000 0.54008 1.00000
Pt8 Pt 0.73154 0.50000 0.20683 1.00000
