Y2H6PtAu
Alexandria ALEXAlex-ID: agm007409077 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_246_spg1
YH3Pt YH3 YAu4 H6Au
2024-03-16 00:50:25.097412
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007409077).
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 agm007409077
data_agm007409077
_cell_length_a 4.58620
_cell_length_b 3.92050
_cell_length_c 7.44104
_cell_angle_alpha 89.87636
_cell_angle_beta 104.29848
_cell_angle_gamma 115.28615
_cell_volume 116.40667
_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 0.47233 0.33557 0.68094 1.00000
Y2 Y 0.43651 0.81701 0.20910 1.00000
H1 H 0.01368 0.10399 0.18183 1.00000
H2 H 0.38758 0.79310 0.51644 1.00000
H3 H 0.96168 0.58110 0.94016 1.00000
H4 H 0.54064 0.86964 0.88490 1.00000
H5 H 0.91205 0.06085 0.70579 1.00000
H6 H 0.38935 0.29420 0.00395 1.00000
Pt1 Pt 0.96499 0.08246 0.94320 1.00000
Au1 Au 0.91620 0.55608 0.42974 1.00000
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