CaCuSn2
Alexandria ALEXAlex-ID: agm002141303 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_4783_spg11
Ca(CuSn)2 Ca6Cu2Sn7 CaSn3
2023-03-24 17:11:23.381577
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002141303).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm002141303
data_agm002141303
_cell_length_a 4.49121
_cell_length_b 4.49743
_cell_length_c 9.89647
_cell_angle_alpha 100.61695
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 196.47611
_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
Ca1 Ca 0.25000 0.64297 0.22230 1.00000
Ca2 Ca 0.75000 0.35702 0.77770 1.00000
Sn1 Sn 0.25000 0.88533 0.91854 1.00000
Sn2 Sn 0.75000 0.11466 0.08146 1.00000
Sn3 Sn 0.75000 0.74579 0.50109 1.00000
Sn4 Sn 0.25000 0.25419 0.49891 1.00000
Cu1 Cu 0.75000 0.17709 0.34274 1.00000
Cu2 Cu 0.25000 0.82290 0.65726 1.00000
获取直接链接