In2PtAu8
Alexandria ALEXAlex-ID: agm003518366 · 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_279_spg12
In2PtAu Au
2022-03-15 10:29:53.999028
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003518366).
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 agm003518366
data_agm003518366
_cell_length_a 4.61447
_cell_length_b 7.65525
_cell_length_c 7.84862
_cell_angle_alpha 60.81169
_cell_angle_beta 77.71301
_cell_angle_gamma 64.12763
_cell_volume 217.78621
_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
In1 In 0.00000 0.31060 0.37880 1.00000
In2 In 1.00000 0.68940 0.62120 1.00000
Pt1 Pt 0.50000 0.00000 0.00000 1.00000
Au1 Au 0.88512 0.09368 0.21775 1.00000
Au2 Au 0.88512 0.31143 0.78225 1.00000
Au3 Au 0.32438 0.38883 0.00000 1.00000
Au4 Au 0.50000 0.79754 0.40492 1.00000
Au5 Au 0.50000 0.20246 0.59508 1.00000
Au6 Au 0.67562 0.61117 1.00000 1.00000
Au7 Au 0.11488 0.68857 0.21775 1.00000
Au8 Au 0.11488 0.90632 0.78225 1.00000
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