AcTb2SmHo6
Alexandria ALEXAlex-ID: agm004983045 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_695_spg15
Tb2SmHo6 Ac
2022-08-02 19:46:17.955441
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004983045).
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 agm004983045
data_agm004983045
_cell_length_a 9.53774
_cell_length_b 8.91757
_cell_length_c 8.91757
_cell_angle_alpha 117.93239
_cell_angle_beta 92.66791
_cell_angle_gamma 92.66791
_cell_volume 667.37214
_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
Ac1 Ac 0.25000 0.96929 0.03071 1.00000
Ac2 Ac 0.75000 0.03071 0.96929 1.00000
Tb1 Tb 0.45130 0.80166 0.68741 1.00000
Tb2 Tb 0.04870 0.31259 0.19834 1.00000
Tb3 Tb 0.54870 0.19834 0.31259 1.00000
Tb4 Tb 0.95130 0.68741 0.80166 1.00000
Sm1 Sm 0.25000 0.41091 0.58909 1.00000
Sm2 Sm 0.75000 0.58909 0.41091 1.00000
Ho1 Ho 0.05852 0.12793 0.74916 1.00000
Ho2 Ho 0.44148 0.25084 0.87207 1.00000
Ho3 Ho 0.94148 0.87207 0.25084 1.00000
Ho4 Ho 0.55852 0.74916 0.12793 1.00000
Ho5 Ho 0.32013 0.98024 0.44172 1.00000
Ho6 Ho 0.17987 0.55828 0.01976 1.00000
Ho7 Ho 0.67987 0.01976 0.55828 1.00000
Ho8 Ho 0.82013 0.44172 0.98024 1.00000
Ho9 Ho 0.11589 0.71147 0.49067 1.00000
Ho10 Ho 0.38411 0.50933 0.28853 1.00000
Ho11 Ho 0.88411 0.28853 0.50933 1.00000
Ho12 Ho 0.61589 0.49067 0.71147 1.00000
