Sc(PaPt4)2
Alexandria ALEXAlex-ID: agm012298396 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_134_spg2
ScPaPt6 PaPt2
2024-06-01 15:32:06.670090
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012298396).
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
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# CIF generated by HEAS from Alexandria entry agm012298396
data_agm012298396
_cell_length_a 8.22707
_cell_length_b 8.22707
_cell_length_c 5.12750
_cell_angle_alpha 71.38179
_cell_angle_beta 71.38179
_cell_angle_gamma 124.41626
_cell_volume 208.65763
_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
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Pa1 Pa 0.31683 0.68317 0.50000 1.00000
Pa2 Pa 0.68317 0.31683 0.50000 1.00000
Pt1 Pt 0.10312 0.37212 0.27552 1.00000
Pt2 Pt 0.37212 0.10312 0.27552 1.00000
Pt3 Pt 0.48902 0.48902 0.75989 1.00000
Pt4 Pt 0.81015 0.18985 0.00000 1.00000
Pt5 Pt 0.18985 0.81015 0.00000 1.00000
Pt6 Pt 0.51098 0.51098 0.24011 1.00000
Pt7 Pt 0.62788 0.89688 0.72448 1.00000
Pt8 Pt 0.89688 0.62788 0.72448 1.00000
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