Er3Tm5Sn
Alexandria ALEXAlex-ID: agm003563736 · 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
AB3C5_240_spg12
ErTm2 ErTm5 Er5Sn3
2022-03-25 08:02:31.059153
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003563736).
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 agm003563736
data_agm003563736
_cell_length_a 7.95075
_cell_length_b 7.95075
_cell_length_c 10.79352
_cell_angle_alpha 84.65811
_cell_angle_beta 84.65811
_cell_angle_gamma 60.55051
_cell_volume 590.68216
_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 0.66608 0.66608 0.78638 1.00000
Er2 Er 0.73279 0.73279 0.46667 1.00000
Er3 Er 0.00000 0.00000 0.00000 1.00000
Er4 Er 0.00000 0.00000 0.50000 1.00000
Er5 Er 0.33392 0.33392 0.21362 1.00000
Er6 Er 0.26721 0.26721 0.53333 1.00000
Tm1 Tm 0.92998 0.32218 0.23090 1.00000
Tm2 Tm 0.33443 0.66557 0.00000 1.00000
Tm3 Tm 0.75979 0.75979 0.04718 1.00000
Tm4 Tm 0.50687 0.50687 0.35374 1.00000
Tm5 Tm 0.49313 0.49313 0.64626 1.00000
Tm6 Tm 0.24021 0.24021 0.95282 1.00000
Tm7 Tm 0.32218 0.92998 0.23090 1.00000
Tm8 Tm 0.66557 0.33443 0.00000 1.00000
Tm9 Tm 0.07002 0.67782 0.76910 1.00000
Tm10 Tm 0.67782 0.07002 0.76910 1.00000
Sn1 Sn 0.09456 0.09456 0.73870 1.00000
Sn2 Sn 0.90544 0.90544 0.26130 1.00000
获取直接链接