FeBPt3
Alexandria ALEXAlex-ID: agm005857421 · 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
ABC3_4827_spg74
Fe3Pt5 FeB BPt2
2023-07-07 13:12:14.305949
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005857421).
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 agm005857421
data_agm005857421
_cell_length_a 3.87067
_cell_length_b 3.94105
_cell_length_c 9.39836
_cell_angle_alpha 77.87766
_cell_angle_beta 99.03479
_cell_angle_gamma 90.00723
_cell_volume 138.35108
_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
Fe1 Fe 0.97164 0.61833 0.19769 1.00000
Fe2 Fe 0.89547 0.22332 0.98736 1.00000
B1 B 0.59867 0.95271 0.52827 1.00000
B2 B 0.26892 0.88907 0.65676 1.00000
Pt1 Pt 0.81282 0.83584 0.76264 1.00000
Pt2 Pt 0.55257 0.50731 0.41965 1.00000
Pt3 Pt 0.39035 0.72069 0.99268 1.00000
Pt4 Pt 0.31497 0.33444 0.76538 1.00000
Pt5 Pt 0.47692 0.12103 0.19235 1.00000
Pt6 Pt 0.05472 0.00590 0.42239 1.00000
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