Er3Cu6Sn5
Alexandria ALEXAlex-ID: agm017019808 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5C6_15_spg59
ErCuSn Sn Cu
2025-02-27 07:14:25
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017019808).
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 agm017019808
data_agm017019808
_cell_length_a 4.34269
_cell_length_b 9.82417
_cell_length_c 12.77431
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 544.99471
_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
Er1 Er 0.50000 0.25905 0.69101 1.00000
Er2 Er 0.00000 0.74095 0.19101 1.00000
Er3 Er 0.00000 0.74095 0.80899 1.00000
Er4 Er 0.50000 0.25285 0.00000 1.00000
Er5 Er 0.00000 0.74715 0.50000 1.00000
Er6 Er 0.50000 0.25905 0.30899 1.00000
Cu1 Cu 0.50000 0.52535 0.85742 1.00000
Cu2 Cu 0.00000 0.47465 0.64258 1.00000
Cu3 Cu 0.00000 0.12077 0.84346 1.00000
Cu4 Cu 0.00000 0.95791 0.00000 1.00000
Cu5 Cu 0.50000 0.04209 0.50000 1.00000
Cu6 Cu 0.50000 0.87923 0.65654 1.00000
Cu7 Cu 0.50000 0.87923 0.34346 1.00000
Cu8 Cu 0.00000 0.55166 0.00000 1.00000
Cu9 Cu 0.50000 0.52535 0.14258 1.00000
Cu10 Cu 0.00000 0.12077 0.15654 1.00000
Cu11 Cu 0.50000 0.44834 0.50000 1.00000
Cu12 Cu 0.00000 0.47465 0.35742 1.00000
Sn1 Sn 0.50000 0.97750 0.85738 1.00000
Sn2 Sn 0.50000 0.61887 0.65832 1.00000
Sn3 Sn 0.50000 0.72130 0.00000 1.00000
Sn4 Sn 0.00000 0.02250 0.64262 1.00000
Sn5 Sn 0.00000 0.27870 0.50000 1.00000
Sn6 Sn 0.50000 0.97750 0.14262 1.00000
Sn7 Sn 0.00000 0.02250 0.35738 1.00000
Sn8 Sn 0.50000 0.61887 0.34168 1.00000
Sn9 Sn 0.00000 0.38113 0.84168 1.00000
Sn10 Sn 0.00000 0.38113 0.15832 1.00000
