PrFeB14
Alexandria ALEXAlex-ID: agm005755730 · 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
FeB2 PrB6 B
2023-07-18 13:56:29.441584
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755730).
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 agm005755730
data_agm005755730
_cell_length_a 5.84612
_cell_length_b 7.41064
_cell_length_c 7.41064
_cell_angle_alpha 68.67317
_cell_angle_beta 66.76889
_cell_angle_gamma 66.76889
_cell_volume 262.74233
_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
Pr1 Pr 0.25000 0.38036 0.11964 1.00000
Pr2 Pr 0.75000 0.61964 0.88036 1.00000
Fe1 Fe 0.50000 0.00000 0.50000 1.00000
Fe2 Fe 0.00000 0.00000 0.50000 1.00000
B1 B 0.66582 0.36760 0.30076 1.00000
B2 B 0.33418 0.63240 0.69924 1.00000
B3 B 0.16582 0.80076 0.86760 1.00000
B4 B 0.83418 0.19924 0.13240 1.00000
B5 B 0.13161 0.23322 0.50356 1.00000
B6 B 0.86839 0.76678 0.49644 1.00000
B7 B 0.63161 0.00356 0.73322 1.00000
B8 B 0.36839 0.99644 0.26678 1.00000
B9 B 0.08687 0.07958 0.74669 1.00000
B10 B 0.91313 0.92042 0.25331 1.00000
B11 B 0.58687 0.24669 0.57958 1.00000
B12 B 0.41313 0.75331 0.42042 1.00000
B13 B 0.71923 0.60200 0.28187 1.00000
B14 B 0.60311 0.39800 0.71813 1.00000
B15 B 0.21923 0.78187 0.10200 1.00000
B16 B 0.10311 0.21813 0.89800 1.00000
B17 B 0.28077 0.39800 0.71813 1.00000
B18 B 0.39689 0.60200 0.28187 1.00000
B19 B 0.78077 0.21813 0.89800 1.00000
B20 B 0.89689 0.78187 0.10200 1.00000
B21 B 0.32695 0.96987 0.87352 1.00000
B22 B 0.17035 0.03013 0.12648 1.00000
B23 B 0.82695 0.37352 0.46987 1.00000
B24 B 0.67035 0.62648 0.53013 1.00000
B25 B 0.67305 0.03013 0.12648 1.00000
B26 B 0.82965 0.96987 0.87352 1.00000
B27 B 0.17305 0.62648 0.53013 1.00000
B28 B 0.32965 0.37352 0.46987 1.00000
