Ac3In7Pt4
Alexandria ALEXAlex-ID: agm005695671 · 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
A3B4C7_45_spg12
Ac(In2Pt)2 AcIn4Pt Ac3(InPt)4
2023-06-29 16:41:26.477058
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695671).
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 agm005695671
data_agm005695671
_cell_length_a 4.59355
_cell_length_b 8.90078
_cell_length_c 9.45853
_cell_angle_alpha 69.74479
_cell_angle_beta 75.94661
_cell_angle_gamma 75.04608
_cell_volume 345.45902
_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
Ac1 Ac 0.30787 0.18189 0.20237 1.00000
Ac2 Ac 0.69213 0.81811 0.79763 1.00000
Ac3 Ac 0.00000 0.50000 0.50000 1.00000
In1 In 0.32014 0.83476 0.52496 1.00000
In2 In 0.49325 0.22526 0.78824 1.00000
In3 In 0.83733 0.39518 0.93016 1.00000
In4 In 0.67986 0.16524 0.47504 1.00000
In5 In 0.16267 0.60482 0.06984 1.00000
In6 In 0.00000 0.00000 0.00000 1.00000
In7 In 0.50675 0.77474 0.21176 1.00000
Pt1 Pt 0.66106 0.44813 0.22975 1.00000
Pt2 Pt 0.33894 0.55187 0.77025 1.00000
Pt3 Pt 0.88116 0.89401 0.34367 1.00000
Pt4 Pt 0.11884 0.10599 0.65633 1.00000
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