Er6Th2Sc
Alexandria ALEXAlex-ID: agm005680818 · 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
AB2C6_643_spg12
Er8Th Er2Th Sc
2023-07-09 13:12:17.835252
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005680818).
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 agm005680818
data_agm005680818
_cell_length_a 4.98923
_cell_length_b 6.04977
_cell_length_c 27.18151
_cell_angle_alpha 147.99192
_cell_angle_beta 90.00008
_cell_angle_gamma 114.35238
_cell_volume 273.23136
_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 0.22741 0.45482 0.44557 1.00000
Er2 Er 0.77259 0.54518 0.55443 1.00000
Er3 Er 0.89541 0.79081 0.77999 1.00000
Er4 Er 0.55427 0.10855 0.11027 1.00000
Er5 Er 0.10459 0.20919 0.22001 1.00000
Er6 Er 0.44573 0.89145 0.88973 1.00000
Th1 Th 0.65977 0.31954 0.33041 1.00000
Th2 Th 0.34023 0.68045 0.66959 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
获取直接链接