Ac3(CuSn)4
Alexandria ALEXAlex-ID: agm005706946 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_0_spg71
Ac(CuSn)2 AcCuSn
2023-06-29 20:00:38.688306
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706946).
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 agm005706946
data_agm005706946
_cell_length_a 4.56429
_cell_length_b 4.52689
_cell_length_c 13.93077
_cell_angle_alpha 99.35077
_cell_angle_beta 99.42872
_cell_angle_gamma 90.00001
_cell_volume 280.07210
_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 0.35325 0.85325 0.70649 1.00000
Ac2 Ac 0.64675 0.14675 0.29351 1.00000
Ac3 Ac 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.80627 0.30627 0.61255 1.00000
Cu2 Cu 0.45370 0.45370 0.90740 1.00000
Cu3 Cu 0.54630 0.54630 0.09260 1.00000
Cu4 Cu 0.19373 0.69373 0.38745 1.00000
Sn1 Sn 0.25006 0.25006 0.50012 1.00000
Sn2 Sn 0.09627 0.59627 0.19253 1.00000
Sn3 Sn 0.90373 0.40373 0.80747 1.00000
Sn4 Sn 0.74994 0.74994 0.49988 1.00000
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