Dy3AsPt5
Alexandria ALEXAlex-ID: agm072561401 · 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
AB3C5_877_spg8
DyPt2 DyPt3 DyAs
2024-09-25 18:50:45.531591
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072561401).
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 agm072561401
data_agm072561401
_cell_length_a 4.25891
_cell_length_b 5.68571
_cell_length_c 7.99598
_cell_angle_alpha 105.06997
_cell_angle_beta 89.99536
_cell_angle_gamma 89.98865
_cell_volume 186.96340
_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
Dy1 Dy 0.94444 0.28067 0.06869 1.00000
Dy2 Dy 0.94427 0.66811 0.58884 1.00000
Dy3 Dy 0.44437 0.12208 0.43622 1.00000
As1 As 0.44469 0.85246 0.06227 1.00000
Pt1 Pt 0.44423 0.00448 0.80351 1.00000
Pt2 Pt 0.94416 0.20791 0.68358 1.00000
Pt3 Pt 0.94467 0.81815 0.22399 1.00000
Pt4 Pt 0.44461 0.54990 0.31436 1.00000
Pt5 Pt 0.44402 0.49636 0.81882 1.00000
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