Ce3Al3Ir2Pt
Alexandria ALEXAlex-ID: agm034961165 · 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
Ce3Al3Ir2Pt
2024-12-15 11:15:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034961165).
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 agm034961165
data_agm034961165
_cell_length_a 6.96976
_cell_length_b 4.34827
_cell_length_c 23.89959
_cell_angle_alpha 90.00000
_cell_angle_beta 90.31513
_cell_angle_gamma 90.00000
_cell_volume 724.29937
_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
Ce1 Ce 0.52585 0.50000 0.06199 1.00000
Ce2 Ce 0.53173 0.50000 0.39656 1.00000
Ce3 Ce 0.52972 0.50000 0.72903 1.00000
Ce4 Ce 0.02648 0.50000 0.10342 1.00000
Ce5 Ce 0.03597 0.50000 0.43930 1.00000
Ce6 Ce 0.03417 0.50000 0.77205 1.00000
Ce7 Ce 0.46721 0.00000 0.27333 1.00000
Ce8 Ce 0.46017 0.00000 0.60563 1.00000
Ce9 Ce 0.45725 0.00000 0.93860 1.00000
Ce10 Ce 0.96634 0.00000 0.22687 1.00000
Ce11 Ce 0.97042 0.00000 0.56002 1.00000
Ce12 Ce 0.96762 0.00000 0.89270 1.00000
Al1 Al 0.64358 0.50000 0.18753 1.00000
Al2 Al 0.63973 0.50000 0.52140 1.00000
Al3 Al 0.63717 0.50000 0.85410 1.00000
Al4 Al 0.14533 0.50000 0.31291 1.00000
Al5 Al 0.14273 0.50000 0.64551 1.00000
Al6 Al 0.14019 0.50000 0.97788 1.00000
Al7 Al 0.35928 0.00000 0.14473 1.00000
Al8 Al 0.36231 0.00000 0.47903 1.00000
Al9 Al 0.36071 0.00000 0.81197 1.00000
Al10 Al 0.85664 0.00000 0.02089 1.00000
Al11 Al 0.86417 0.00000 0.35586 1.00000
Al12 Al 0.86185 0.00000 0.68839 1.00000
Ir1 Ir 0.26587 0.50000 0.53830 1.00000
Ir2 Ir 0.26356 0.50000 0.87121 1.00000
Ir3 Ir 0.23026 0.00000 0.03786 1.00000
Ir4 Ir 0.23741 0.00000 0.37109 1.00000
Ir5 Ir 0.23448 0.00000 0.70482 1.00000
Ir6 Ir 0.73243 0.00000 0.12867 1.00000
Ir7 Ir 0.73718 0.00000 0.46247 1.00000
Ir8 Ir 0.73486 0.00000 0.79504 1.00000
Pt1 Pt 0.77191 0.50000 0.29604 1.00000
Pt2 Pt 0.76909 0.50000 0.62886 1.00000
Pt3 Pt 0.76611 0.50000 0.96191 1.00000
Pt4 Pt 0.27021 0.50000 0.20400 1.00000
