DyFeB14
Alexandria ALEXAlex-ID: agm005755818 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC14_1_spg74
DyB12 FeB2
2023-07-18 13:54:34.939170
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755818).
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 agm005755818
data_agm005755818
_cell_length_a 5.83713
_cell_length_b 7.31829
_cell_length_c 7.31829
_cell_angle_alpha 68.73237
_cell_angle_beta 66.49655
_cell_angle_gamma 66.49655
_cell_volume 255.07257
_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
Dy1 Dy 0.25000 0.38155 0.11845 1.00000
Dy2 Dy 0.75000 0.61845 0.88155 1.00000
Fe1 Fe 0.50000 0.00000 0.50000 1.00000
Fe2 Fe 0.00000 0.00000 0.50000 1.00000
B1 B 0.66682 0.36780 0.29855 1.00000
B2 B 0.33318 0.63220 0.70145 1.00000
B3 B 0.16682 0.79855 0.86780 1.00000
B4 B 0.83318 0.20145 0.13220 1.00000
B5 B 0.13574 0.23397 0.49455 1.00000
B6 B 0.86426 0.76603 0.50545 1.00000
B7 B 0.63574 0.99455 0.73397 1.00000
B8 B 0.36426 0.00545 0.26603 1.00000
B9 B 0.08811 0.08054 0.74325 1.00000
B10 B 0.91189 0.91946 0.25675 1.00000
B11 B 0.58811 0.24325 0.58054 1.00000
B12 B 0.41189 0.75675 0.41946 1.00000
B13 B 0.72113 0.60120 0.27839 1.00000
B14 B 0.60072 0.39880 0.72161 1.00000
B15 B 0.22113 0.77839 0.10120 1.00000
B16 B 0.10072 0.22161 0.89880 1.00000
B17 B 0.27887 0.39880 0.72161 1.00000
B18 B 0.39928 0.60120 0.27839 1.00000
B19 B 0.77887 0.22161 0.89880 1.00000
B20 B 0.89928 0.77839 0.10120 1.00000
B21 B 0.32806 0.96724 0.87313 1.00000
B22 B 0.16843 0.03276 0.12687 1.00000
B23 B 0.82806 0.37313 0.46724 1.00000
B24 B 0.66843 0.62687 0.53276 1.00000
B25 B 0.67194 0.03276 0.12687 1.00000
B26 B 0.83157 0.96724 0.87313 1.00000
B27 B 0.17194 0.62687 0.53276 1.00000
B28 B 0.33157 0.37313 0.46724 1.00000
