Y2InPt
Alexandria ALEXAlex-ID: agm069635673 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_10537_spg11
Y21(In2Pt5)2 Y5(In2Pt)2 YPt
2025-03-07 21:00:27
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069635673).
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 agm069635673
data_agm069635673
_cell_length_a 5.81937
_cell_length_b 4.47205
_cell_length_c 8.26094
_cell_angle_alpha 90.00000
_cell_angle_beta 107.75978
_cell_angle_gamma 90.00000
_cell_volume 204.74117
_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 0.26115 0.75000 0.77559 1.00000
Y2 Y 0.73885 0.25000 0.22441 1.00000
Y3 Y 0.28842 0.75000 0.34388 1.00000
Y4 Y 0.71158 0.25000 0.65612 1.00000
In1 In 0.17427 0.25000 0.03366 1.00000
In2 In 0.82573 0.75000 0.96634 1.00000
Pt1 Pt 0.17742 0.25000 0.54062 1.00000
Pt2 Pt 0.82258 0.75000 0.45938 1.00000
获取直接链接