Er5TmSc3
Alexandria ALEXAlex-ID: agm003564232 · 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_291_spg12
Er5Tm Sc
2022-03-25 07:15:20.032011
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003564232).
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 agm003564232
data_agm003564232
_cell_length_a 7.97455
_cell_length_b 7.97455
_cell_length_c 12.79749
_cell_angle_alpha 60.07477
_cell_angle_beta 60.07477
_cell_angle_gamma 89.24808
_cell_volume 580.40686
_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 0.76811 0.26611 0.35076 1.00000
Er2 Er 0.25597 0.74403 0.00000 1.00000
Er3 Er 0.65574 0.65574 0.09274 1.00000
Er4 Er 0.30907 0.30907 0.42710 1.00000
Er5 Er 0.69093 0.69093 0.57290 1.00000
Er6 Er 0.34426 0.34426 0.90726 1.00000
Er7 Er 0.26611 0.76811 0.35076 1.00000
Er8 Er 0.74403 0.25597 0.00000 1.00000
Er9 Er 0.23189 0.73389 0.64924 1.00000
Er10 Er 0.73389 0.23189 0.64924 1.00000
Tm1 Tm 0.99450 0.99450 0.77488 1.00000
Tm2 Tm 0.00550 0.00550 0.22512 1.00000
Sc1 Sc 0.68104 0.68104 0.82619 1.00000
Sc2 Sc 0.66109 0.66109 0.34356 1.00000
Sc3 Sc 0.00000 0.00000 0.00000 1.00000
Sc4 Sc 0.00000 0.00000 0.50000 1.00000
Sc5 Sc 0.31896 0.31896 0.17381 1.00000
Sc6 Sc 0.33891 0.33891 0.65644 1.00000
获取直接链接