Ac3Cu4Sn7
Alexandria ALEXAlex-ID: agm008489299 · 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_70_spg12
Ac(CuSn)2 AcSn3
2024-05-09 15:07:38.995712
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008489299).
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}
}
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# CIF generated by HEAS from Alexandria entry agm008489299
data_agm008489299
_cell_length_a 9.11413
_cell_length_b 9.11413
_cell_length_c 10.46757
_cell_angle_alpha 55.83288
_cell_angle_beta 55.83288
_cell_angle_gamma 29.34912
_cell_volume 347.00275
_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 0.32082 0.32082 0.18872 1.00000
Ac2 Ac 0.67918 0.67918 0.81128 1.00000
Ac3 Ac 0.00000 0.00000 0.50000 1.00000
Cu1 Cu 0.65743 0.65743 0.22065 1.00000
Cu2 Cu 0.34257 0.34257 0.77935 1.00000
Cu3 Cu 0.86108 0.86108 0.37793 1.00000
Cu4 Cu 0.13892 0.13892 0.62207 1.00000
Sn1 Sn 0.32128 0.32128 0.54764 1.00000
Sn2 Sn 0.49914 0.49914 0.76847 1.00000
Sn3 Sn 0.83155 0.83155 0.92703 1.00000
Sn4 Sn 0.67872 0.67872 0.45236 1.00000
Sn5 Sn 0.16845 0.16845 0.07297 1.00000
Sn6 Sn 0.00000 0.00000 0.00000 1.00000
Sn7 Sn 0.50086 0.50086 0.23153 1.00000
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