MoPt5
Alexandria ALEXAlex-ID: agm017120730 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5_34_spg2
MoPt4 MoPt8
2024-11-02 02:20:19.144140
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017120730).
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 agm017120730
data_agm017120730
_cell_length_a 3.94772
_cell_length_b 5.61947
_cell_length_c 8.42119
_cell_angle_alpha 89.99777
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 186.81675
_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
Mo1 Mo 0.75000 0.62435 0.24999 1.00000
Mo2 Mo 0.25000 0.37565 0.75001 1.00000
Pt1 Pt 0.25000 0.38154 0.41648 1.00000
Pt2 Pt 0.75000 0.61846 0.58352 1.00000
Pt3 Pt 0.25000 0.87093 0.74998 1.00000
Pt4 Pt 0.75000 0.12907 0.25002 1.00000
Pt5 Pt 0.75000 0.12852 0.90935 1.00000
Pt6 Pt 0.25000 0.87148 0.09065 1.00000
Pt7 Pt 0.75000 0.12854 0.59069 1.00000
Pt8 Pt 0.25000 0.87146 0.40931 1.00000
Pt9 Pt 0.25000 0.38157 0.08354 1.00000
Pt10 Pt 0.75000 0.61843 0.91646 1.00000
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